7-[(E)-2-(4-chlorophenyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

Formula:C13H10N5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 7-[(E)-2-(4-chlorophenyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is a drug-like molecule.

MolName	7-[(E)-2-(4-chlorophenyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
MolecularFormula	C13H10N5Cl
Smiles	Nc1nn2c(/C=C/c(cc3)ccc3Cl)ccnc2n1
InChI	InChI=1S/C13H10ClN5/c14-10-4-1-9(2-5-10)3-6-11-7-8-16-13-17-12(15)18-19(11)13/h1-8H,(H2,15,18)
InChIK	QWAYUNOMFDDJDC-UHFFFAOYSA-N
TotalMolweight	271.71
Molweight	271.71
MonoisotopicMass	271.062472
CLogP	1.8185
CLogS	-2.575
H Acceptors	5
H Donors	1
TotalSurfaceArea	204.99
Relative PSA	0.27382
PolarSurfaceArea	69.1
Druglikeness	4.0585
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Symmetricatoms	2
Aromatic Nitrogens	4
BasicNitrogens	2
StereoCon

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