5-methyl-1-(7H-purin-6-yl)pyrazol-3-amine

C9H9N7 — CID 62677725

IUPAC5-methyl-1-(7H-purin-6-yl)pyrazol-3-amine
SMILESCc1cc(N)nn1-c1ncnc2nc[nH]c12
InChIInChI=1S/C9H9N7/c1-5-2-6(10)15-16(5)9-7-8(12-3-11-7)13-4-14-9/h2-4H,1H3,(H2,10,15)(H,11,12,13,14)
InChIKeyNFJMEORYIDQHAN-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.43
Rot. Bonds1

About 5-methyl-1-(7H-purin-6-yl)pyrazol-3-amine

5-methyl-1-(7H-purin-6-yl)pyrazol-3-amine (PubChem CID 62677725) has the molecular formula C9H9N7 and a molecular weight of 215.22 g/mol. Its IUPAC name is 5-methyl-1-(7H-purin-6-yl)pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-1-(7H-purin-6-yl)pyrazol-3-amine
PubChem CID62677725
Molecular FormulaC9H9N7
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name5-methyl-1-(7H-purin-6-yl)pyrazol-3-amine
SMILESCc1cc(N)nn1-c1ncnc2nc[nH]c12
InChIInChI=1S/C9H9N7/c1-5-2-6(10)15-16(5)9-7-8(12-3-11-7)13-4-14-9/h2-4H,1H3,(H2,10,15)(H,11,12,13,14)
InChIKeyNFJMEORYIDQHAN-UHFFFAOYSA-N
XLogP0.43
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(7H-purin-6-yl)pyrazol-3-amine?
The IUPAC name of 5-methyl-1-(7H-purin-6-yl)pyrazol-3-amine (CID 62677725) is 5-methyl-1-(7H-purin-6-yl)pyrazol-3-amine.
What is the SMILES notation for 5-methyl-1-(7H-purin-6-yl)pyrazol-3-amine?
The canonical SMILES for 5-methyl-1-(7H-purin-6-yl)pyrazol-3-amine is Cc1cc(N)nn1-c1ncnc2nc[nH]c12.
What is the InChIKey of 5-methyl-1-(7H-purin-6-yl)pyrazol-3-amine?
The InChIKey is NFJMEORYIDQHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7/c1-5-2-6(10)15-16(5)9-7-8(12-3-11-7)13-4-14-9/h2-4H,1H3,(H2,10,15)(H,11,12,13,14).
What are the key properties of 5-methyl-1-(7H-purin-6-yl)pyrazol-3-amine?
5-methyl-1-(7H-purin-6-yl)pyrazol-3-amine has a molecular weight of 215.22 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(7H-purin-6-yl)pyrazol-3-amine is sourced from PubChem (CID 62677725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).