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

C8H13N3O — CID 130538477

IUPAC1-(3-amino-2-methylpropyl)pyrazin-2-one
SMILESCC(CN)Cn1ccncc1=O
InChIInChI=1S/C8H13N3O/c1-7(4-9)6-11-3-2-10-5-8(11)12/h2-3,5,7H,4,6,9H2,1H3
InChIKeyJYTKAMCJPISVGS-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.16
Rot. Bonds3

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

1-(3-amino-2-methylpropyl)pyrazin-2-one (PubChem CID 130538477) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(3-amino-2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name1-(3-amino-2-methylpropyl)pyrazin-2-one
PubChem CID130538477
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(3-amino-2-methylpropyl)pyrazin-2-one
SMILESCC(CN)Cn1ccncc1=O
InChIInChI=1S/C8H13N3O/c1-7(4-9)6-11-3-2-10-5-8(11)12/h2-3,5,7H,4,6,9H2,1H3
InChIKeyJYTKAMCJPISVGS-UHFFFAOYSA-N
XLogP-0.16
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 ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-isopentyl-2(1H)-pyrazinone
CID 6428852
1-(2-Methylpropyl)pyrazin-2-one
CID 58125219
1-(3-Aminopropyl)-2(1h)-pyrazinone
CID 124093153
1-(2-Aminobutyl)pyrazin-2-one
CID 130538504
1-(2-Amino-3-methylbutyl)pyrazin-2-one
CID 130538505
1-(Pyrrolidin-3-ylmethyl)pyrazin-2-one
CID 130538536
2-Methyl-3-(2-oxopyrazin-1-yl)propanamide
CID 130538578
N-methyl-3-(2-oxopyrazin-1-yl)propanamide
CID 130538590
1-(1-Aminobutan-2-yl)pyrazin-2-one
CID 172415431
1-(3-Aminobutan-2-yl)pyrazin-2-one
CID 172415432

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylpropyl)pyrazin-2-one?
The IUPAC name of 1-(3-amino-2-methylpropyl)pyrazin-2-one (CID 130538477) is 1-(3-amino-2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 1-(3-amino-2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 1-(3-amino-2-methylpropyl)pyrazin-2-one is CC(CN)Cn1ccncc1=O.
What is the InChIKey of 1-(3-amino-2-methylpropyl)pyrazin-2-one?
The InChIKey is JYTKAMCJPISVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-7(4-9)6-11-3-2-10-5-8(11)12/h2-3,5,7H,4,6,9H2,1H3.
What are the key properties of 1-(3-amino-2-methylpropyl)pyrazin-2-one?
1-(3-amino-2-methylpropyl)pyrazin-2-one has a molecular weight of 167.21 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 130538477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).