4-amino-3-anilino-6-[(E)-2-thiophen-2-ylethenyl]-1,2,4-triazin-5-one

Formula:C15H13N5OS Mutagenic:high Tumorigenic:high Reproductive Effective:low 4-amino-3-anilino-6-[(E)-2-thiophen-2-ylethenyl]-1,2,4-triazin-5-one is a drug-like molecule.

MolName	4-amino-3-anilino-6-[(E)-2-thiophen-2-ylethenyl]-1,2,4-triazin-5-one
MolecularFormula	C15H13N5OS
Smiles	NN1C(Nc2ccccc2)=NN=C(/C=C/c2cccs2)C1=O
InChI	InChI=1S/C15H13N5OS/c16-20-14(21)13(9-8-12-7-4-10-22-12)18-19-15(20)17-11-5-2-1-3-6-11/h1-10H,16H2,(H,17,19)
InChIK	VDQXNJQECCFRNU-UHFFFAOYSA-N
TotalMolweight	311.368
Molweight	311.368
MonoisotopicMass	311.08408
CLogP	2.4184
CLogS	-4.529
H Acceptors	6
H Donors	2
TotalSurfaceArea	235.93
Relative PSA	0.36748
PolarSurfaceArea	111.32
Druglikeness	4.2586
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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