3-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione

Formula:C10H7N7O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione is a drug-like molecule.

MolName	3-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione
MolecularFormula	C10H7N7O3
Smiles	O=C(c1c(N2)nc(N/N=C\c3ccco3)nn1)NC2=O
InChI	InChI=1S/C10H7N7O3/c18-8-6-7(13-10(19)14-8)12-9(17-15-6)16-11-4-5-2-1-3-20-5/h1-4H,(H3,12,13,14,16,17,18,19)
InChIK	VNFNYPYNAMUXGX-UHFFFAOYSA-N
TotalMolweight	273.212
Molweight	273.212
MonoisotopicMass	273.061038
CLogP	1.2648
CLogS	-3.083
H Acceptors	10
H Donors	3
TotalSurfaceArea	200.13
Relative PSA	0.59456
PolarSurfaceArea	134.4
Druglikeness	3.8094
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Amides	2
Aromatic Nitrogens	3
StereoCon

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