2-(3-methyl-2-oxopyrazin-1-yl)acetonitrile

C7H7N3O — CID 130571123

IUPAC2-(3-methyl-2-oxopyrazin-1-yl)acetonitrile
SMILESCc1nccn(CC#N)c1=O
InChIInChI=1S/C7H7N3O/c1-6-7(11)10(4-2-8)5-3-9-6/h3,5H,4H2,1H3
InChIKeyCBYXGZFMNWRPTG-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.08
Rot. Bonds1

About 2-(3-methyl-2-oxopyrazin-1-yl)acetonitrile

2-(3-methyl-2-oxopyrazin-1-yl)acetonitrile (PubChem CID 130571123) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 2-(3-methyl-2-oxopyrazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-methyl-2-oxopyrazin-1-yl)acetonitrile
PubChem CID130571123
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name2-(3-methyl-2-oxopyrazin-1-yl)acetonitrile
SMILESCc1nccn(CC#N)c1=O
InChIInChI=1S/C7H7N3O/c1-6-7(11)10(4-2-8)5-3-9-6/h3,5H,4H2,1H3
InChIKeyCBYXGZFMNWRPTG-UHFFFAOYSA-N
XLogP0.08
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-methylpyrazin-2-one
CID 90291055
2-(2-tert-butylimidazol-1-yl)acetonitrile
CID 82561565
2-(2-phenylimidazol-1-yl)acetonitrile
CID 58743635
2-hydroxy-2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanoic acid
CID 130571087
N-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanamide
CID 130571190
2-[2-(2-iodophenyl)imidazol-1-yl]acetonitrile
CID 82561718
2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetonitrile
CID 80581156
2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]acetonitrile
CID 82561680
2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetonitrile
CID 82561742
2-[3-[(2-methylphenyl)methoxy]-2-oxo-1-pyridinyl]acetonitrile
CID 82143632
2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetonitrile
CID 82561469
3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2,2-dimethylpropanenitrile
CID 154733887

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxopyrazin-1-yl)acetonitrile?
The IUPAC name of 2-(3-methyl-2-oxopyrazin-1-yl)acetonitrile (CID 130571123) is 2-(3-methyl-2-oxopyrazin-1-yl)acetonitrile.
What is the SMILES notation for 2-(3-methyl-2-oxopyrazin-1-yl)acetonitrile?
The canonical SMILES for 2-(3-methyl-2-oxopyrazin-1-yl)acetonitrile is Cc1nccn(CC#N)c1=O.
What is the InChIKey of 2-(3-methyl-2-oxopyrazin-1-yl)acetonitrile?
The InChIKey is CBYXGZFMNWRPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-6-7(11)10(4-2-8)5-3-9-6/h3,5H,4H2,1H3.
What are the key properties of 2-(3-methyl-2-oxopyrazin-1-yl)acetonitrile?
2-(3-methyl-2-oxopyrazin-1-yl)acetonitrile has a molecular weight of 149.15 g/mol, XLogP of 0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxopyrazin-1-yl)acetonitrile is sourced from PubChem (CID 130571123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).