2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)benzonitrile

C15H16N6 — CID 79281106

IUPAC2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)benzonitrile
SMILESCCCc1nn(C)c2c1nc(N)n2-c1ccccc1C#N
InChIInChI=1S/C15H16N6/c1-3-6-11-13-14(20(2)19-11)21(15(17)18-13)12-8-5-4-7-10(12)9-16/h4-5,7-8H,3,6H2,1-2H3,(H2,17,18)
InChIKeyLMHCEAIYCLQHLF-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.17
Rot. Bonds3

About 2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)benzonitrile

2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)benzonitrile (PubChem CID 79281106) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)benzonitrile.

Molecular Properties

Compound Name2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)benzonitrile
PubChem CID79281106
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC Name2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)benzonitrile
SMILESCCCc1nn(C)c2c1nc(N)n2-c1ccccc1C#N
InChIInChI=1S/C15H16N6/c1-3-6-11-13-14(20(2)19-11)21(15(17)18-13)12-8-5-4-7-10(12)9-16/h4-5,7-8H,3,6H2,1-2H3,(H2,17,18)
InChIKeyLMHCEAIYCLQHLF-UHFFFAOYSA-N
XLogP2.17
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)benzonitrile?
The IUPAC name of 2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)benzonitrile (CID 79281106) is 2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)benzonitrile.
What is the SMILES notation for 2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)benzonitrile?
The canonical SMILES for 2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)benzonitrile is CCCc1nn(C)c2c1nc(N)n2-c1ccccc1C#N.
What is the InChIKey of 2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)benzonitrile?
The InChIKey is LMHCEAIYCLQHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-3-6-11-13-14(20(2)19-11)21(15(17)18-13)12-8-5-4-7-10(12)9-16/h4-5,7-8H,3,6H2,1-2H3,(H2,17,18).
What are the key properties of 2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)benzonitrile?
2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)benzonitrile has a molecular weight of 280.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)benzonitrile is sourced from PubChem (CID 79281106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).