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

C13H23N3O — CID 62940519

IUPAC1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one
SMILESCCCCCNc1nccn(CC(C)C)c1=O
InChIInChI=1S/C13H23N3O/c1-4-5-6-7-14-12-13(17)16(9-8-15-12)10-11(2)3/h8-9,11H,4-7,10H2,1-3H3,(H,14,15)
InChIKeyQLQFHIHKWHUDDX-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.50
Rot. Bonds7

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

1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one (PubChem CID 62940519) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one
PubChem CID62940519
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one
SMILESCCCCCNc1nccn(CC(C)C)c1=O
InChIInChI=1S/C13H23N3O/c1-4-5-6-7-14-12-13(17)16(9-8-15-12)10-11(2)3/h8-9,11H,4-7,10H2,1-3H3,(H,14,15)
InChIKeyQLQFHIHKWHUDDX-UHFFFAOYSA-N
XLogP2.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 107816214
3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62927277
1-(2-methylpropyl)-3-(3-methylsulfonylpropylamino)pyrazin-2-one
CID 55157563
3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62928309
3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938830
N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide
CID 55155069
1-methyl-3-(octylamino)pyrazin-2-one
CID 113337455
1-(2-methylpropyl)-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyrazin-2-one
CID 64530049
1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 62938964
3-(4-chloropentylamino)-1-propylpyrazin-2-one
CID 106124558
3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62939478
3-(5-chloropentylamino)-1-propylpyrazin-2-one
CID 107320514

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one?
The IUPAC name of 1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one (CID 62940519) is 1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one is CCCCCNc1nccn(CC(C)C)c1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one?
The InChIKey is QLQFHIHKWHUDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-5-6-7-14-12-13(17)16(9-8-15-12)10-11(2)3/h8-9,11H,4-7,10H2,1-3H3,(H,14,15).
What are the key properties of 1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one?
1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one has a molecular weight of 237.35 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one is sourced from PubChem (CID 62940519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).