1-(2-amino-3-methylbutyl)pyrazin-2-one

C9H15N3O — CID 130538505

IUPAC1-(2-amino-3-methylbutyl)pyrazin-2-one
SMILESCC(C)C(N)Cn1ccncc1=O
InChIInChI=1S/C9H15N3O/c1-7(2)8(10)6-12-4-3-11-5-9(12)13/h3-5,7-8H,6,10H2,1-2H3
InChIKeyWIVSBTULVGXHCM-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.23
Rot. Bonds3

About 1-(2-amino-3-methylbutyl)pyrazin-2-one

1-(2-amino-3-methylbutyl)pyrazin-2-one (PubChem CID 130538505) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(2-amino-3-methylbutyl)pyrazin-2-one.

Molecular Properties

Compound Name1-(2-amino-3-methylbutyl)pyrazin-2-one
PubChem CID130538505
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(2-amino-3-methylbutyl)pyrazin-2-one
SMILESCC(C)C(N)Cn1ccncc1=O
InChIInChI=1S/C9H15N3O/c1-7(2)8(10)6-12-4-3-11-5-9(12)13/h3-5,7-8H,6,10H2,1-2H3
InChIKeyWIVSBTULVGXHCM-UHFFFAOYSA-N
XLogP0.23
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-isopentyl-2(1H)-pyrazinone
CID 6428852
1-[2-(5-Methylhexan-2-ylamino)ethyl]pyrazin-2-one
CID 112753756
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-Aminobutyl)pyrazin-2-one
CID 130538504
1-(2-Amino-3,3-dimethylbutyl)pyrazin-2-one
CID 130538507
1-(2-Amino-2-cyclopropylethyl)-3-methylpyrazin-2-one
CID 130571112
1-[(3-Aminocyclobutyl)methyl]-1,2-dihydropyrazin-2-one
CID 164653859
1-(1-Aminobutan-2-yl)pyrazin-2-one
CID 172415431
1-(3-Aminobutan-2-yl)pyrazin-2-one
CID 172415432
1-(1-Amino-2-methylpropan-2-yl)pyrazin-2-one
CID 172415433

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methylbutyl)pyrazin-2-one?
The IUPAC name of 1-(2-amino-3-methylbutyl)pyrazin-2-one (CID 130538505) is 1-(2-amino-3-methylbutyl)pyrazin-2-one.
What is the SMILES notation for 1-(2-amino-3-methylbutyl)pyrazin-2-one?
The canonical SMILES for 1-(2-amino-3-methylbutyl)pyrazin-2-one is CC(C)C(N)Cn1ccncc1=O.
What is the InChIKey of 1-(2-amino-3-methylbutyl)pyrazin-2-one?
The InChIKey is WIVSBTULVGXHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)8(10)6-12-4-3-11-5-9(12)13/h3-5,7-8H,6,10H2,1-2H3.
What are the key properties of 1-(2-amino-3-methylbutyl)pyrazin-2-one?
1-(2-amino-3-methylbutyl)pyrazin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methylbutyl)pyrazin-2-one is sourced from PubChem (CID 130538505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).