3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one

C12H19N3O — CID 62938956

IUPAC3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCC2CC2)c1=O
InChIInChI=1S/C12H19N3O/c1-9(2)8-15-6-5-13-11(12(15)16)14-7-10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,13,14)
InChIKeyBALSPPASFZCXDS-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.72
Rot. Bonds5

About 3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one

3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 62938956) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
PubChem CID62938956
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCC2CC2)c1=O
InChIInChI=1S/C12H19N3O/c1-9(2)8-15-6-5-13-11(12(15)16)14-7-10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,13,14)
InChIKeyBALSPPASFZCXDS-UHFFFAOYSA-N
XLogP1.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one (CID 62938956) is 3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(NCC2CC2)c1=O.
What is the InChIKey of 3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is BALSPPASFZCXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)8-15-6-5-13-11(12(15)16)14-7-10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,13,14).
What are the key properties of 3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one?
3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 62938956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).