3-[3-(N-methylanilino)propylamino]-1H-pyrazin-2-one

C14H18N4O — CID 115656911

IUPAC3-[3-(N-methylanilino)propylamino]-1H-pyrazin-2-one
SMILESCN(CCCNc1ncc[nH]c1=O)c1ccccc1
InChIInChI=1S/C14H18N4O/c1-18(12-6-3-2-4-7-12)11-5-8-15-13-14(19)17-10-9-16-13/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,15,16)(H,17,19)
InChIKeyWVIGEJXBICCHMX-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.71
Rot. Bonds6

About 3-[3-(N-methylanilino)propylamino]-1H-pyrazin-2-one

3-[3-(N-methylanilino)propylamino]-1H-pyrazin-2-one (PubChem CID 115656911) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[3-(N-methylanilino)propylamino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[3-(N-methylanilino)propylamino]-1H-pyrazin-2-one
PubChem CID115656911
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-[3-(N-methylanilino)propylamino]-1H-pyrazin-2-one
SMILESCN(CCCNc1ncc[nH]c1=O)c1ccccc1
InChIInChI=1S/C14H18N4O/c1-18(12-6-3-2-4-7-12)11-5-8-15-13-14(19)17-10-9-16-13/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,15,16)(H,17,19)
InChIKeyWVIGEJXBICCHMX-UHFFFAOYSA-N
XLogP1.71
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one
CID 114568070
3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one
CID 115897525
N'-methyl-N-(2-nitro-3-pyridinyl)-N'-phenylpropane-1,3-diamine
CID 115585416
3-(3-pyrazol-1-ylpropylamino)-1H-pyrazin-2-one
CID 115657026
N-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 60631387
N-(1H-imidazol-2-ylmethyl)-N'-methyl-N'-phenylbutane-1,4-diamine
CID 119111564
N'-methyl-N'-phenyl-N-(1-propan-2-ylimidazol-2-yl)propane-1,3-diamine
CID 106556651
3-[methyl(3-phenylpropyl)amino]-1H-pyrazin-2-one
CID 115657080
2-methyl-4-N-[3-(N-methylanilino)propyl]-1H-imidazole-4,5-diamine
CID 55012088
N'-methyl-N'-phenyl-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,3-diamine
CID 43236143
2-[2-[(2-oxo-1H-pyrazin-3-yl)amino]ethyl]benzoic acid
CID 114570497
N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 29068124

Frequently Asked Questions

What is the IUPAC name of 3-[3-(N-methylanilino)propylamino]-1H-pyrazin-2-one?
The IUPAC name of 3-[3-(N-methylanilino)propylamino]-1H-pyrazin-2-one (CID 115656911) is 3-[3-(N-methylanilino)propylamino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[3-(N-methylanilino)propylamino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[3-(N-methylanilino)propylamino]-1H-pyrazin-2-one is CN(CCCNc1ncc[nH]c1=O)c1ccccc1.
What is the InChIKey of 3-[3-(N-methylanilino)propylamino]-1H-pyrazin-2-one?
The InChIKey is WVIGEJXBICCHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18(12-6-3-2-4-7-12)11-5-8-15-13-14(19)17-10-9-16-13/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,15,16)(H,17,19).
What are the key properties of 3-[3-(N-methylanilino)propylamino]-1H-pyrazin-2-one?
3-[3-(N-methylanilino)propylamino]-1H-pyrazin-2-one has a molecular weight of 258.32 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(N-methylanilino)propylamino]-1H-pyrazin-2-one is sourced from PubChem (CID 115656911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).