2-methyl-4-pyrazolo[3,4-b]pyrazin-1-ylpyridine-3-carbonitrile

C12H8N6 — CID 155387066

IUPAC2-methyl-4-pyrazolo[3,4-b]pyrazin-1-ylpyridine-3-carbonitrile
SMILESCc1nccc(-n2ncc3nccnc32)c1C#N
InChIInChI=1S/C12H8N6/c1-8-9(6-13)11(2-3-14-8)18-12-10(7-17-18)15-4-5-16-12/h2-5,7H,1H3
InChIKeyHXELVQIGILBLAM-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.39
Rot. Bonds1

About 2-methyl-4-pyrazolo[3,4-b]pyrazin-1-ylpyridine-3-carbonitrile

2-methyl-4-pyrazolo[3,4-b]pyrazin-1-ylpyridine-3-carbonitrile (PubChem CID 155387066) has the molecular formula C12H8N6 and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-methyl-4-pyrazolo[3,4-b]pyrazin-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-4-pyrazolo[3,4-b]pyrazin-1-ylpyridine-3-carbonitrile
PubChem CID155387066
Molecular FormulaC12H8N6
Molecular Weight236.24 g/mol
Exact Mass236.08
IUPAC Name2-methyl-4-pyrazolo[3,4-b]pyrazin-1-ylpyridine-3-carbonitrile
SMILESCc1nccc(-n2ncc3nccnc32)c1C#N
InChIInChI=1S/C12H8N6/c1-8-9(6-13)11(2-3-14-8)18-12-10(7-17-18)15-4-5-16-12/h2-5,7H,1H3
InChIKeyHXELVQIGILBLAM-UHFFFAOYSA-N
XLogP1.39
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyrazolo[3,4-b]pyrazin-1-ylpyridine-3-carbonitrile?
The IUPAC name of 2-methyl-4-pyrazolo[3,4-b]pyrazin-1-ylpyridine-3-carbonitrile (CID 155387066) is 2-methyl-4-pyrazolo[3,4-b]pyrazin-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-4-pyrazolo[3,4-b]pyrazin-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-4-pyrazolo[3,4-b]pyrazin-1-ylpyridine-3-carbonitrile is Cc1nccc(-n2ncc3nccnc32)c1C#N.
What is the InChIKey of 2-methyl-4-pyrazolo[3,4-b]pyrazin-1-ylpyridine-3-carbonitrile?
The InChIKey is HXELVQIGILBLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6/c1-8-9(6-13)11(2-3-14-8)18-12-10(7-17-18)15-4-5-16-12/h2-5,7H,1H3.
What are the key properties of 2-methyl-4-pyrazolo[3,4-b]pyrazin-1-ylpyridine-3-carbonitrile?
2-methyl-4-pyrazolo[3,4-b]pyrazin-1-ylpyridine-3-carbonitrile has a molecular weight of 236.24 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrazolo[3,4-b]pyrazin-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 155387066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).