1-[(3-aminocyclobutyl)methyl]pyrazin-2-one

C9H13N3O — CID 164653859

IUPAC1-[(3-aminocyclobutyl)methyl]pyrazin-2-one
SMILESNC1CC(Cn2ccncc2=O)C1
InChIInChI=1S/C9H13N3O/c10-8-3-7(4-8)6-12-2-1-11-5-9(12)13/h1-2,5,7-8H,3-4,6,10H2
InChIKeyKBNOTEAMWVEXSA-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.02
Rot. Bonds2

About 1-[(3-aminocyclobutyl)methyl]pyrazin-2-one

1-[(3-aminocyclobutyl)methyl]pyrazin-2-one (PubChem CID 164653859) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-[(3-aminocyclobutyl)methyl]pyrazin-2-one.

Molecular Properties

Compound Name1-[(3-aminocyclobutyl)methyl]pyrazin-2-one
PubChem CID164653859
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-[(3-aminocyclobutyl)methyl]pyrazin-2-one
SMILESNC1CC(Cn2ccncc2=O)C1
InChIInChI=1S/C9H13N3O/c10-8-3-7(4-8)6-12-2-1-11-5-9(12)13/h1-2,5,7-8H,3-4,6,10H2
InChIKeyKBNOTEAMWVEXSA-UHFFFAOYSA-N
XLogP-0.02
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-Methylhexan-2-ylamino)ethyl]pyrazin-2-one
CID 112753756
1-(2-Amino-3-methylbutyl)pyrazin-2-one
CID 130538505
1-(2-Pyrrolidin-3-ylethyl)pyrazin-2-one
CID 131057360

Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminocyclobutyl)methyl]pyrazin-2-one?
The IUPAC name of 1-[(3-aminocyclobutyl)methyl]pyrazin-2-one (CID 164653859) is 1-[(3-aminocyclobutyl)methyl]pyrazin-2-one.
What is the SMILES notation for 1-[(3-aminocyclobutyl)methyl]pyrazin-2-one?
The canonical SMILES for 1-[(3-aminocyclobutyl)methyl]pyrazin-2-one is NC1CC(Cn2ccncc2=O)C1.
What is the InChIKey of 1-[(3-aminocyclobutyl)methyl]pyrazin-2-one?
The InChIKey is KBNOTEAMWVEXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-8-3-7(4-8)6-12-2-1-11-5-9(12)13/h1-2,5,7-8H,3-4,6,10H2.
What are the key properties of 1-[(3-aminocyclobutyl)methyl]pyrazin-2-one?
1-[(3-aminocyclobutyl)methyl]pyrazin-2-one has a molecular weight of 179.22 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminocyclobutyl)methyl]pyrazin-2-one is sourced from PubChem (CID 164653859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).