8-(1-methylindazol-3-yl)-7H-purin-6-amine

C13H11N7 — CID 136785887

IUPAC8-(1-methylindazol-3-yl)-7H-purin-6-amine
SMILESCn1nc(-c2nc3ncnc(N)c3[nH]2)c2ccccc21
InChIInChI=1S/C13H11N7/c1-20-8-5-3-2-4-7(8)9(19-20)13-17-10-11(14)15-6-16-12(10)18-13/h2-6H,1H3,(H3,14,15,16,17,18)
InChIKeyKIBATVHZJARGGA-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.49
Rot. Bonds1

About 8-(1-methylindazol-3-yl)-7H-purin-6-amine

8-(1-methylindazol-3-yl)-7H-purin-6-amine (PubChem CID 136785887) has the molecular formula C13H11N7 and a molecular weight of 265.28 g/mol. Its IUPAC name is 8-(1-methylindazol-3-yl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(1-methylindazol-3-yl)-7H-purin-6-amine
PubChem CID136785887
Molecular FormulaC13H11N7
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name8-(1-methylindazol-3-yl)-7H-purin-6-amine
SMILESCn1nc(-c2nc3ncnc(N)c3[nH]2)c2ccccc21
InChIInChI=1S/C13H11N7/c1-20-8-5-3-2-4-7(8)9(19-20)13-17-10-11(14)15-6-16-12(10)18-13/h2-6H,1H3,(H3,14,15,16,17,18)
InChIKeyKIBATVHZJARGGA-UHFFFAOYSA-N
XLogP1.49
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-6-(1-methylindazol-3-yl)-1H-1,3,5-triazin-2-one
CID 136980728
8-(2,5-dimethylpyrazol-3-yl)-7H-purin-6-amine
CID 137003605
8-quinolin-4-yl-7H-purin-6-amine
CID 114608196
6-chloro-2-(1-methylindazol-3-yl)-1H-benzimidazol-4-amine
CID 136785800
8-(2-ethylphenyl)-7H-purin-6-amine
CID 114608258
6-(6-amino-7H-purin-8-yl)-1H-pyridin-2-one
CID 114040234
8-(4-amino-3-methylphenyl)-7H-purin-6-amine
CID 114608073
8-quinolin-2-yl-7H-purin-6-amine
CID 114608266
2-methyl-5-(1-methylindazol-3-yl)-1H-1,2,4-triazole-3-thione
CID 103119827
2-(1-methylindazol-3-yl)-3H-benzimidazol-5-ol
CID 136785862
8-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 114608201
8-(3,5-dimethylphenyl)-7H-purin-6-amine
CID 114608308

Frequently Asked Questions

What is the IUPAC name of 8-(1-methylindazol-3-yl)-7H-purin-6-amine?
The IUPAC name of 8-(1-methylindazol-3-yl)-7H-purin-6-amine (CID 136785887) is 8-(1-methylindazol-3-yl)-7H-purin-6-amine.
What is the SMILES notation for 8-(1-methylindazol-3-yl)-7H-purin-6-amine?
The canonical SMILES for 8-(1-methylindazol-3-yl)-7H-purin-6-amine is Cn1nc(-c2nc3ncnc(N)c3[nH]2)c2ccccc21.
What is the InChIKey of 8-(1-methylindazol-3-yl)-7H-purin-6-amine?
The InChIKey is KIBATVHZJARGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7/c1-20-8-5-3-2-4-7(8)9(19-20)13-17-10-11(14)15-6-16-12(10)18-13/h2-6H,1H3,(H3,14,15,16,17,18).
What are the key properties of 8-(1-methylindazol-3-yl)-7H-purin-6-amine?
8-(1-methylindazol-3-yl)-7H-purin-6-amine has a molecular weight of 265.28 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylindazol-3-yl)-7H-purin-6-amine is sourced from PubChem (CID 136785887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).