3-[methyl(3-phenylpropyl)amino]-1H-pyrazin-2-one

C14H17N3O — CID 115657080

IUPAC3-[methyl(3-phenylpropyl)amino]-1H-pyrazin-2-one
SMILESCN(CCCc1ccccc1)c1ncc[nH]c1=O
InChIInChI=1S/C14H17N3O/c1-17(13-14(18)16-10-9-15-13)11-5-8-12-6-3-2-4-7-12/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,16,18)
InChIKeyZLOWTQRJBIXGMF-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.84
Rot. Bonds5

About 3-[methyl(3-phenylpropyl)amino]-1H-pyrazin-2-one

3-[methyl(3-phenylpropyl)amino]-1H-pyrazin-2-one (PubChem CID 115657080) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[methyl(3-phenylpropyl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[methyl(3-phenylpropyl)amino]-1H-pyrazin-2-one
PubChem CID115657080
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-[methyl(3-phenylpropyl)amino]-1H-pyrazin-2-one
SMILESCN(CCCc1ccccc1)c1ncc[nH]c1=O
InChIInChI=1S/C14H17N3O/c1-17(13-14(18)16-10-9-15-13)11-5-8-12-6-3-2-4-7-12/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,16,18)
InChIKeyZLOWTQRJBIXGMF-UHFFFAOYSA-N
XLogP1.84
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-aminopropyl(methyl)amino]-1H-pyrazin-2-one
CID 114570606
3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyrazin-2-amine
CID 62671815
1-ethyl-3-[methyl(3-phenylpropyl)amino]pyrazin-2-one
CID 133446320
3-bromo-N-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 61373185
3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 43587097
3-bromo-N,4-dimethyl-N-(3-phenylpropyl)pyridin-2-amine
CID 106876609
3-[2-methoxyethyl(methyl)amino]-1H-pyrazin-2-one
CID 115657141
3-[(4-aminophenyl)methyl-methylamino]-1H-pyrazin-2-one
CID 114571079
3-[2,2-difluoroethyl(methyl)amino]-1H-pyrazin-2-one
CID 114570348
3-[3-(N-methylanilino)propylamino]-1H-pyrazin-2-one
CID 115656911
methyl N-(1H-imidazol-2-yl)-N-(3-phenylpropyl)carbamate
CID 141055573
3-N-methyl-3-N-(2-phenylethyl)pyrazine-2,3-diamine
CID 113228940

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3-phenylpropyl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[methyl(3-phenylpropyl)amino]-1H-pyrazin-2-one (CID 115657080) is 3-[methyl(3-phenylpropyl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[methyl(3-phenylpropyl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[methyl(3-phenylpropyl)amino]-1H-pyrazin-2-one is CN(CCCc1ccccc1)c1ncc[nH]c1=O.
What is the InChIKey of 3-[methyl(3-phenylpropyl)amino]-1H-pyrazin-2-one?
The InChIKey is ZLOWTQRJBIXGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17(13-14(18)16-10-9-15-13)11-5-8-12-6-3-2-4-7-12/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,16,18).
What are the key properties of 3-[methyl(3-phenylpropyl)amino]-1H-pyrazin-2-one?
3-[methyl(3-phenylpropyl)amino]-1H-pyrazin-2-one has a molecular weight of 243.31 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3-phenylpropyl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 115657080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).