1-(2-aminobutyl)pyrazin-2-one

C8H13N3O — CID 130538504

IUPAC1-(2-aminobutyl)pyrazin-2-one
SMILESCCC(N)Cn1ccncc1=O
InChIInChI=1S/C8H13N3O/c1-2-7(9)6-11-4-3-10-5-8(11)12/h3-5,7H,2,6,9H2,1H3
InChIKeyUTOIALFBRLCCQG-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.02
Rot. Bonds3

About 1-(2-aminobutyl)pyrazin-2-one

1-(2-aminobutyl)pyrazin-2-one (PubChem CID 130538504) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(2-aminobutyl)pyrazin-2-one.

Molecular Properties

Compound Name1-(2-aminobutyl)pyrazin-2-one
PubChem CID130538504
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(2-aminobutyl)pyrazin-2-one
SMILESCCC(N)Cn1ccncc1=O
InChIInChI=1S/C8H13N3O/c1-2-7(9)6-11-4-3-10-5-8(11)12/h3-5,7H,2,6,9H2,1H3
InChIKeyUTOIALFBRLCCQG-UHFFFAOYSA-N
XLogP-0.02
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Amino-1,1,1-trifluoropropan-2-yl)pyrazin-2-one
CID 130538472
1-Butan-2-ylpyrazin-2-one
CID 66924608
1-Pentan-2-ylpyrazin-2-one
CID 70142823
1-(2-Aminobutyl)-4-methylpyrazine-2,3-dione
CID 62929609
1-[2-(5-Methylhexan-2-ylamino)ethyl]pyrazin-2-one
CID 112753756
N-butyl-2-(2-oxopyrazin-1-yl)acetamide
CID 121553973
1-(3-Amino-2-methylpropyl)pyrazin-2-one
CID 130538477
1-(2-Aminopropyl)pyrazin-2-one
CID 130538500
1-[(2R)-2-aminopropyl]pyrazin-2-one
CID 130538502
1-[2-(Methylamino)ethyl]pyrazin-2-one
CID 130538503
1-(2-Amino-3-methylbutyl)pyrazin-2-one
CID 130538505
1-(2-Amino-3,3-dimethylbutyl)pyrazin-2-one
CID 130538507

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobutyl)pyrazin-2-one?
The IUPAC name of 1-(2-aminobutyl)pyrazin-2-one (CID 130538504) is 1-(2-aminobutyl)pyrazin-2-one.
What is the SMILES notation for 1-(2-aminobutyl)pyrazin-2-one?
The canonical SMILES for 1-(2-aminobutyl)pyrazin-2-one is CCC(N)Cn1ccncc1=O.
What is the InChIKey of 1-(2-aminobutyl)pyrazin-2-one?
The InChIKey is UTOIALFBRLCCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-7(9)6-11-4-3-10-5-8(11)12/h3-5,7H,2,6,9H2,1H3.
What are the key properties of 1-(2-aminobutyl)pyrazin-2-one?
1-(2-aminobutyl)pyrazin-2-one has a molecular weight of 167.21 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobutyl)pyrazin-2-one is sourced from PubChem (CID 130538504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).