1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-5-[(dimethylamino)methyl]triazole-4-carboxamide

Formula:C15H15N9O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-5-[(dimethylamino)methyl]triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-5-[(dimethylamino)methyl]triazole-4-carboxamide
MolecularFormula	C15H15N9O2Cl2
Smiles	CN(C)Cc1c(C(N/N=C\c(cc2)cc(Cl)c2Cl)=O)nnn1-c1nonc1N
InChI	InChI=1S/C15H15Cl2N9O2/c1-25(2)7-11-12(20-24-26(11)14-13(18)22-28-23-14)15(27)21-19-6-8-3-4-9(16)10(17)5-8/h3-6H,7H2,1-2H3,(H2,18,22)(H,21,27)
InChIK	NQVIHMRBEXFBQG-UHFFFAOYSA-N
TotalMolweight	424.251
Molweight	424.251
MonoisotopicMass	423.072575
CLogP	2.5843
CLogS	-2.438
H Acceptors	11
H Donors	2
TotalSurfaceArea	308.62
Relative PSA	0.38782
PolarSurfaceArea	140.35
Druglikeness	3.5242
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Symmetricatoms	1
Amines	1
AlkylAmines	1
Aromatic Nitrogens	5
BasicNitrogens	1
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-5-[(dimethylamino)methyl]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-5-[(dimethylamino)methyl]triazole-4-carboxamide

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