3-[3-chloropropyl(propan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one

C14H24ClN3O — CID 55183698

IUPAC3-[3-chloropropyl(propan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N(CCCCl)C(C)C)c1=O
InChIInChI=1S/C14H24ClN3O/c1-11(2)10-17-9-7-16-13(14(17)19)18(12(3)4)8-5-6-15/h7,9,11-12H,5-6,8,10H2,1-4H3
InChIKeyZXRWHNARVQAHCB-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.74
Rot. Bonds7

About 3-[3-chloropropyl(propan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one

3-[3-chloropropyl(propan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 55183698) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 3-[3-chloropropyl(propan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[3-chloropropyl(propan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID55183698
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name3-[3-chloropropyl(propan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N(CCCCl)C(C)C)c1=O
InChIInChI=1S/C14H24ClN3O/c1-11(2)10-17-9-7-16-13(14(17)19)18(12(3)4)8-5-6-15/h7,9,11-12H,5-6,8,10H2,1-4H3
InChIKeyZXRWHNARVQAHCB-UHFFFAOYSA-N
XLogP2.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-chloropropyl(propan-2-yl)amino]-1-(2-methylpropyl)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

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloropropyl(propan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[3-chloropropyl(propan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one (CID 55183698) is 3-[3-chloropropyl(propan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[3-chloropropyl(propan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[3-chloropropyl(propan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(N(CCCCl)C(C)C)c1=O.
What is the InChIKey of 3-[3-chloropropyl(propan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is ZXRWHNARVQAHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-11(2)10-17-9-7-16-13(14(17)19)18(12(3)4)8-5-6-15/h7,9,11-12H,5-6,8,10H2,1-4H3.
What are the key properties of 3-[3-chloropropyl(propan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
3-[3-chloropropyl(propan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 285.82 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloropropyl(propan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 55183698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).