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

Formula:C15H12N5OClS Mutagenic:high Tumorigenic:high Reproductive Effective:low 4-amino-3-(3-chloroanilino)-6-[(E)-2-thiophen-2-ylethenyl]-1,2,4-triazin-5-one is a drug-like molecule.

MolName	4-amino-3-(3-chloroanilino)-6-[(E)-2-thiophen-2-ylethenyl]-1,2,4-triazin-5-one
MolecularFormula	C15H12N5OClS
Smiles	NN1C(Nc2cccc(Cl)c2)=NN=C(/C=C/c2cccs2)C1=O
InChI	InChI=1S/C15H12ClN5OS/c16-10-3-1-4-11(9-10)18-15-20-19-13(14(22)21(15)17)7-6-12-5-2-8-23-12/h1-9H,17H2,(H,18,20)
InChIK	ZALJWDQCJZEZII-UHFFFAOYSA-N
TotalMolweight	345.813
Molweight	345.813
MonoisotopicMass	345.045107
CLogP	3.0244
CLogS	-5.265
H Acceptors	6
H Donors	2
TotalSurfaceArea	251.35
Relative PSA	0.34494
PolarSurfaceArea	111.32
Druglikeness	4.2955
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
BasicNitrogens	1
StereoCon

Click to Load Molecule:

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

Request More Details | 4-amino-3-(3-chloroanilino)-6-[(E)-2-thiophen-2-ylethenyl]-1,2,4-triazin-5-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments