N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-2H-indazol-4-amine

• ChemBase ID: 127810
• Molecular Formular: C11H13N5
• Molecular Mass: 215.25442
• Monoisotopic Mass: 215.11709544
• SMILES: Cn1cc2c(cccc2NC2=NCCN2)n1
• Canonical SMILES: Cn1nc2c(c1)c(ccc2)NC1=NCCN1
• InChI: InChI=1S/C11H13N5/c1-16-7-8-9(3-2-4-10(8)15-16)14-11-12-5-6-13-11/h2-4,7H,5-6H2,1H3,(H2,12,13,14)
• InChIKey: PNHJTLDBYZVCGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-2H-indazol-4-amine
• IUPAC Systematic name: N-(4,5-Dihydro-1H-imidazol-2-yl)-2-methyl-2H-indazol-4-amine
• IUPAC Traditional name: indanidine
• Synonyms: N-(4,5-Dihydro-1H-imidazol-2-yl)-2-methylindazol-4-amine; Indanidine

Database IDs

• CAS Number: 85392-79-6
• PubChem SID: 162222128
• PubChem CID: 121925
• CHEBI ID: 345108
• Chemspider ID: 108770
• IUPHAR ligand ID: 512
• MeSH Name: Indanidine
• Wikipedia Title: Indanidine

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.303744
• LogD (pH = 7.4): -0.49916774
• Log P: 1.0801865
• Molar Refractivity: 74.4608 cm^3
• Polarizability: 24.198084 Å^3
• Polar Surface Area: 54.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true