1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile

C12H7N7 — CID 104733751

IUPAC1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile
SMILESCc1cc2c(-n3cnc(C#N)c3C#N)nccn2n1
InChIInChI=1S/C12H7N7/c1-8-4-10-12(15-2-3-19(10)17-8)18-7-16-9(5-13)11(18)6-14/h2-4,7H,1H3
InChIKeyIXRBIMOFMSOPAX-UHFFFAOYSA-N
MW249.24 g/mol
LogP0.97
Rot. Bonds1

About 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile

1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile (PubChem CID 104733751) has the molecular formula C12H7N7 and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile
PubChem CID104733751
Molecular FormulaC12H7N7
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile
SMILESCc1cc2c(-n3cnc(C#N)c3C#N)nccn2n1
InChIInChI=1S/C12H7N7/c1-8-4-10-12(15-2-3-19(10)17-8)18-7-16-9(5-13)11(18)6-14/h2-4,7H,1H3
InChIKeyIXRBIMOFMSOPAX-UHFFFAOYSA-N
XLogP0.97
TPSA95.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile (CID 104733751) is 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile is Cc1cc2c(-n3cnc(C#N)c3C#N)nccn2n1.
What is the InChIKey of 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile?
The InChIKey is IXRBIMOFMSOPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N7/c1-8-4-10-12(15-2-3-19(10)17-8)18-7-16-9(5-13)11(18)6-14/h2-4,7H,1H3.
What are the key properties of 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile?
1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile has a molecular weight of 249.24 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 104733751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).