4-acetyl-2,3-dihydro-1H-pyrazine-5-carbonitrile

C7H9N3O — CID 18688648

IUPAC4-acetyl-2,3-dihydro-1H-pyrazine-5-carbonitrile
SMILESCC(=O)N1CCNC=C1C#N
InChIInChI=1S/C7H9N3O/c1-6(11)10-3-2-9-5-7(10)4-8/h5,9H,2-3H2,1H3
InChIKeyLBHPVOVKLMXLIT-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.20
Rot. Bonds

About 4-acetyl-2,3-dihydro-1H-pyrazine-5-carbonitrile

4-acetyl-2,3-dihydro-1H-pyrazine-5-carbonitrile (PubChem CID 18688648) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 4-acetyl-2,3-dihydro-1H-pyrazine-5-carbonitrile.

Molecular Properties

Compound Name4-acetyl-2,3-dihydro-1H-pyrazine-5-carbonitrile
PubChem CID18688648
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name4-acetyl-2,3-dihydro-1H-pyrazine-5-carbonitrile
SMILESCC(=O)N1CCNC=C1C#N
InChIInChI=1S/C7H9N3O/c1-6(11)10-3-2-9-5-7(10)4-8/h5,9H,2-3H2,1H3
InChIKeyLBHPVOVKLMXLIT-UHFFFAOYSA-N
XLogP-0.20
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2,3-dihydro-1H-pyrazine-5-carbonitrile?
The IUPAC name of 4-acetyl-2,3-dihydro-1H-pyrazine-5-carbonitrile (CID 18688648) is 4-acetyl-2,3-dihydro-1H-pyrazine-5-carbonitrile.
What is the SMILES notation for 4-acetyl-2,3-dihydro-1H-pyrazine-5-carbonitrile?
The canonical SMILES for 4-acetyl-2,3-dihydro-1H-pyrazine-5-carbonitrile is CC(=O)N1CCNC=C1C#N.
What is the InChIKey of 4-acetyl-2,3-dihydro-1H-pyrazine-5-carbonitrile?
The InChIKey is LBHPVOVKLMXLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-6(11)10-3-2-9-5-7(10)4-8/h5,9H,2-3H2,1H3.
What are the key properties of 4-acetyl-2,3-dihydro-1H-pyrazine-5-carbonitrile?
4-acetyl-2,3-dihydro-1H-pyrazine-5-carbonitrile has a molecular weight of 151.17 g/mol, XLogP of -0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2,3-dihydro-1H-pyrazine-5-carbonitrile is sourced from PubChem (CID 18688648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).