6-(1-cyclopropylethylamino)-1H-pyrazin-2-one

C9H13N3O — CID 130992967

IUPAC6-(1-cyclopropylethylamino)-1H-pyrazin-2-one
SMILESCC(Nc1cncc(=O)[nH]1)C1CC1
InChIInChI=1S/C9H13N3O/c1-6(7-2-3-7)11-8-4-10-5-9(13)12-8/h4-7H,2-3H2,1H3,(H2,11,12,13)
InChIKeyHKANONIXFXDJGZ-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.98
Rot. Bonds3

About 6-(1-cyclopropylethylamino)-1H-pyrazin-2-one

6-(1-cyclopropylethylamino)-1H-pyrazin-2-one (PubChem CID 130992967) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-(1-cyclopropylethylamino)-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-(1-cyclopropylethylamino)-1H-pyrazin-2-one
PubChem CID130992967
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name6-(1-cyclopropylethylamino)-1H-pyrazin-2-one
SMILESCC(Nc1cncc(=O)[nH]1)C1CC1
InChIInChI=1S/C9H13N3O/c1-6(7-2-3-7)11-8-4-10-5-9(13)12-8/h4-7H,2-3H2,1H3,(H2,11,12,13)
InChIKeyHKANONIXFXDJGZ-UHFFFAOYSA-N
XLogP0.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylethylamino)-1H-pyrazin-2-one?
The IUPAC name of 6-(1-cyclopropylethylamino)-1H-pyrazin-2-one (CID 130992967) is 6-(1-cyclopropylethylamino)-1H-pyrazin-2-one.
What is the SMILES notation for 6-(1-cyclopropylethylamino)-1H-pyrazin-2-one?
The canonical SMILES for 6-(1-cyclopropylethylamino)-1H-pyrazin-2-one is CC(Nc1cncc(=O)[nH]1)C1CC1.
What is the InChIKey of 6-(1-cyclopropylethylamino)-1H-pyrazin-2-one?
The InChIKey is HKANONIXFXDJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6(7-2-3-7)11-8-4-10-5-9(13)12-8/h4-7H,2-3H2,1H3,(H2,11,12,13).
What are the key properties of 6-(1-cyclopropylethylamino)-1H-pyrazin-2-one?
6-(1-cyclopropylethylamino)-1H-pyrazin-2-one has a molecular weight of 179.22 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropylethylamino)-1H-pyrazin-2-one is sourced from PubChem (CID 130992967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).