1-ethyl-3-(propan-2-ylamino)pyrazin-2-one

C9H15N3O — CID 53015095

IUPAC1-ethyl-3-(propan-2-ylamino)pyrazin-2-one
SMILESCCn1ccnc(NC(C)C)c1=O
InChIInChI=1S/C9H15N3O/c1-4-12-6-5-10-8(9(12)13)11-7(2)3/h5-7H,4H2,1-3H3,(H,10,11)
InChIKeyNUSFUJWHVXBITA-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.08
Rot. Bonds3

About 1-ethyl-3-(propan-2-ylamino)pyrazin-2-one

1-ethyl-3-(propan-2-ylamino)pyrazin-2-one (PubChem CID 53015095) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-ethyl-3-(propan-2-ylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(propan-2-ylamino)pyrazin-2-one
PubChem CID53015095
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-ethyl-3-(propan-2-ylamino)pyrazin-2-one
SMILESCCn1ccnc(NC(C)C)c1=O
InChIInChI=1S/C9H15N3O/c1-4-12-6-5-10-8(9(12)13)11-7(2)3/h5-7H,4H2,1-3H3,(H,10,11)
InChIKeyNUSFUJWHVXBITA-UHFFFAOYSA-N
XLogP1.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(propan-2-ylamino)pyrazin-2-one?
The IUPAC name of 1-ethyl-3-(propan-2-ylamino)pyrazin-2-one (CID 53015095) is 1-ethyl-3-(propan-2-ylamino)pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-(propan-2-ylamino)pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-(propan-2-ylamino)pyrazin-2-one is CCn1ccnc(NC(C)C)c1=O.
What is the InChIKey of 1-ethyl-3-(propan-2-ylamino)pyrazin-2-one?
The InChIKey is NUSFUJWHVXBITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-12-6-5-10-8(9(12)13)11-7(2)3/h5-7H,4H2,1-3H3,(H,10,11).
What are the key properties of 1-ethyl-3-(propan-2-ylamino)pyrazin-2-one?
1-ethyl-3-(propan-2-ylamino)pyrazin-2-one has a molecular weight of 181.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(propan-2-ylamino)pyrazin-2-one is sourced from PubChem (CID 53015095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).