3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one

C14H16ClN3O — CID 62928989

IUPAC3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCc2cccc(Cl)c2)c1=O
InChIInChI=1S/C14H16ClN3O/c1-2-7-18-8-6-16-13(14(18)19)17-10-11-4-3-5-12(15)9-11/h3-6,8-9H,2,7,10H2,1H3,(H,16,17)
InChIKeyNCUZYCQUZZJFKX-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.92
Rot. Bonds5

About 3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one

3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one (PubChem CID 62928989) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one
PubChem CID62928989
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCc2cccc(Cl)c2)c1=O
InChIInChI=1S/C14H16ClN3O/c1-2-7-18-8-6-16-13(14(18)19)17-10-11-4-3-5-12(15)9-11/h3-6,8-9H,2,7,10H2,1H3,(H,16,17)
InChIKeyNCUZYCQUZZJFKX-UHFFFAOYSA-N
XLogP2.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-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-[(3-chlorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55156230
N-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine
CID 106570097
3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one
CID 62940904
3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
CID 62940846
1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one
CID 55155833
3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one
CID 62940139
3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one
CID 62940227
3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one
CID 63795521
3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 62928286
3-(5-chloropentylamino)-1-propylpyrazin-2-one
CID 107320514
3-(3-chloropropylamino)-1-propylpyrazin-2-one
CID 65030283
1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one
CID 62940009

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one (CID 62928989) is 3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one is CCCn1ccnc(NCc2cccc(Cl)c2)c1=O.
What is the InChIKey of 3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one?
The InChIKey is NCUZYCQUZZJFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-2-7-18-8-6-16-13(14(18)19)17-10-11-4-3-5-12(15)9-11/h3-6,8-9H,2,7,10H2,1H3,(H,16,17).
What are the key properties of 3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one?
3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one has a molecular weight of 277.75 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one is sourced from PubChem (CID 62928989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).