3-[5-aminopentyl(methyl)amino]-1-propan-2-ylpyrazin-2-one

C13H24N4O — CID 107206954

IUPAC3-[5-aminopentyl(methyl)amino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(N(C)CCCCCN)c1=O
InChIInChI=1S/C13H24N4O/c1-11(2)17-10-8-15-12(13(17)18)16(3)9-6-4-5-7-14/h8,10-11H,4-7,9,14H2,1-3H3
InChIKeyHJXQUVWPFAOJFG-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.39
Rot. Bonds7

About 3-[5-aminopentyl(methyl)amino]-1-propan-2-ylpyrazin-2-one

3-[5-aminopentyl(methyl)amino]-1-propan-2-ylpyrazin-2-one (PubChem CID 107206954) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[5-aminopentyl(methyl)amino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[5-aminopentyl(methyl)amino]-1-propan-2-ylpyrazin-2-one
PubChem CID107206954
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[5-aminopentyl(methyl)amino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(N(C)CCCCCN)c1=O
InChIInChI=1S/C13H24N4O/c1-11(2)17-10-8-15-12(13(17)18)16(3)9-6-4-5-7-14/h8,10-11H,4-7,9,14H2,1-3H3
InChIKeyHJXQUVWPFAOJFG-UHFFFAOYSA-N
XLogP1.39
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-aminopropyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 63287336
3-[3-aminopropyl(methyl)amino]-1-tert-butylpyrazin-2-one
CID 55155444
methyl 3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoate
CID 62928880
3-[2-aminoethyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 113468467
3-[butyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 62928158
3-[[3-(aminomethyl)phenyl]methyl-methylamino]-1-propan-2-ylpyrazin-2-one
CID 62940662
N'-hydroxy-2-methyl-3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanimidamide
CID 76981212
3-[3-aminopropyl(methyl)amino]-1H-pyrazin-2-one
CID 114570606
3-[2-chloroethyl(propan-2-yl)amino]-1-propan-2-ylpyrazin-2-one
CID 55184433
3-[3-chloropropyl(cyclobutyl)amino]-1-propan-2-ylpyrazin-2-one
CID 102871485
3-(4-aminobutan-2-ylamino)-1-propan-2-ylpyrazin-2-one
CID 83178717
3-[benzyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 62929910

Frequently Asked Questions

What is the IUPAC name of 3-[5-aminopentyl(methyl)amino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[5-aminopentyl(methyl)amino]-1-propan-2-ylpyrazin-2-one (CID 107206954) is 3-[5-aminopentyl(methyl)amino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[5-aminopentyl(methyl)amino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[5-aminopentyl(methyl)amino]-1-propan-2-ylpyrazin-2-one is CC(C)n1ccnc(N(C)CCCCCN)c1=O.
What is the InChIKey of 3-[5-aminopentyl(methyl)amino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is HJXQUVWPFAOJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11(2)17-10-8-15-12(13(17)18)16(3)9-6-4-5-7-14/h8,10-11H,4-7,9,14H2,1-3H3.
What are the key properties of 3-[5-aminopentyl(methyl)amino]-1-propan-2-ylpyrazin-2-one?
3-[5-aminopentyl(methyl)amino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 252.36 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-aminopentyl(methyl)amino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 107206954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).