3-(3-methylphenyl)-6-(2-methyl-5-propylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula:C17H18N6S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(3-methylphenyl)-6-(2-methyl-5-propylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is a drug-like molecule.

MolName	3-(3-methylphenyl)-6-(2-methyl-5-propylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
MolecularFormula	C17H18N6S
Smiles	CCCc1nn(C)c(-c(s2)nn3c2nnc3-c2cc(C)ccc2)c1
InChI	InChI=1S/C17H18N6S/c1-4-6-13-10-14(22(3)20-13)16-21-23-15(18-19-17(23)24-16)12-8-5-7-11(2)9-12/h5,7-10H,4,6H2,1-3H3
InChIK	NVYITXZVGHCNHD-UHFFFAOYSA-N
TotalMolweight	338.438
Molweight	338.438
MonoisotopicMass	338.131364
CLogP	2.5824
CLogS	-2.01
H Acceptors	6
TotalSurfaceArea	262.51
Relative PSA	0.30117
PolarSurfaceArea	89.14
Druglikeness	3.0201
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	5
Aromatic Nitrogens	6
StereoCon

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