CAS 67730-11-4|CAS 210049-10-8|10-methyl-1,3,8-triazatricyclo[7.4.0.0<sup>2</sup>,<sup>7</sup>]trideca-2,4,6,8,10,12-hexaen-4-amine hydrate hydrochloride|6-Methylpyrido[3',2':4,5]imidazo[1,2-a]pyrid...

General Information

Structure

Molecular Formula

C₁₁H₁₃ClN₄O

Molecular Mass

252.70012

Exact Mass

252.07778874

Charge

InChI

InChI=1S/C11H10N4.ClH.H2O/c1-7-3-2-6-15-10(7)13-8-4-5-9(12)14-11(8)15;;/h2-6H,1H3,(H2,12,14);1H;1H2

InChIKey

WSBNFZWVPJAQMQ-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc2c(n1)n1cccc(c1n2)C.O.Cl

Isomeric Smiles

n12c3c(ccc(n3)N)nc1c(ccc2)C.O.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.585304

LogD (pH = 7.4)

1.5929222

Log P

1.5930202

Molar Refractivity

59.7429

Polarizability

22.131495

Polar Surface Area

56.21

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

10-methyl-1,3,8-triazatricyclo[7.4.0.0²,⁷]trideca-2,4,6,8,10,12-hexaen-4-amine hydrate hydrochloride 10-methyl-1,3,8-triazatricyclo[7.4.0.0^{2,7}]trideca-2,4,6,8,10,12-hexaen-4-amine hydrate hydrochloride

Synonyms

6-Methylpyrido[3',2':4,5]imidazo[1,2-a]pyridin-2-amine Monohydrochloride MonohydrateGlu-P 12-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole Hydrochloride Hydrate Glu-P-12-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole hydrochloride monohydrate2-AMINO-6-METHYLDIPYRIDO-[1,2-a:3',2'-d] IMIDAZOLE

IUPAC name

Names and Identifiers

Registration numbers

MDL Number

MFCD00210744

CAS Number

67730-11-4210049-10-8

PubChem CID

24837711

PubChem SID

162042689

Registration numbers