Compound C13H13N3O

4-(2,4-diamino-5-methylphenyl)iminocyclohexa-2,5-dien-1-one

CAS: 121-23-3

Molecular Formula	`C13H13N3O`
Molecular Weight	227.26 g/mol
LogP	0.9
Topological Polar Surface Area	81.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	1
Exact Mass	227.10587
Heavy Atoms	17
Complexity	379.0

Chemical Identifiers

CAS Number	121-23-3
SMILES	`CC1=CC(=C(C=C1N)N)N=C2C=CC(=O)C=C2`
InChIKey	`HAXAVAPYQCRUSA-UHFFFAOYSA-N`

📖 Product Overview

Compound C13H13N3O (CAS: 121-23-3) is a chemical compound with molecular formula C13H13N3O and molecular weight 227.26 g/mol. Its IUPAC systematic name is 4-(2,4-diamino-5-methylphenyl)iminocyclohexa-2,5-dien-1-one. LogP 0.9 Topological Polar Surface Area 81.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 1 Exact Mass 227.10587 Heavy Atoms 17 Complexity 379.0 InChI Key: HAXAVAPYQCRUSA-UHFFFAOYSA-N. SMILES: CC1=CC(=C(C=C1N)N)N=C2C=CC(=O)C=C2.

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