2-[1-(aminomethyl)cyclobutyl]-1-pyrazin-2-ylethanone

C11H15N3O — CID 116599519

IUPAC2-[1-(aminomethyl)cyclobutyl]-1-pyrazin-2-ylethanone
SMILESNCC1(CC(=O)c2cnccn2)CCC1
InChIInChI=1S/C11H15N3O/c12-8-11(2-1-3-11)6-10(15)9-7-13-4-5-14-9/h4-5,7H,1-3,6,8,12H2
InChIKeyMRHIXEOXRGKVMC-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.18
Rot. Bonds4

About 2-[1-(aminomethyl)cyclobutyl]-1-pyrazin-2-ylethanone

2-[1-(aminomethyl)cyclobutyl]-1-pyrazin-2-ylethanone (PubChem CID 116599519) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-1-pyrazin-2-ylethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-1-pyrazin-2-ylethanone
PubChem CID116599519
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-1-pyrazin-2-ylethanone
SMILESNCC1(CC(=O)c2cnccn2)CCC1
InChIInChI=1S/C11H15N3O/c12-8-11(2-1-3-11)6-10(15)9-7-13-4-5-14-9/h4-5,7H,1-3,6,8,12H2
InChIKeyMRHIXEOXRGKVMC-UHFFFAOYSA-N
XLogP1.18
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-1-pyridin-3-ylethanone
CID 116599471
2-[1-(aminomethyl)cyclobutyl]-1-(1-methylimidazol-2-yl)ethanone
CID 116599367
2-cyclopentyl-1-pyrazin-2-ylethanone
CID 62622099
N-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrazine-2-carboxamide
CID 91954428
4-amino-1-pyrazin-2-ylbutan-1-one
CID 116553317
7-amino-1-pyrazin-2-ylheptan-1-one
CID 116551534
2-piperidin-4-yl-1-pyrazin-2-ylethanone
CID 116559954
2-[1-(aminomethyl)cyclobutyl]-N-pyrimidin-2-ylacetamide
CID 81179251
2-[1-(aminomethyl)cyclobutyl]-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
CID 114670623
2-(oxolan-2-yl)-1-pyrazin-2-ylethanone
CID 62621906
2-[1-(aminomethyl)cyclohexyl]-1-quinolin-8-ylethanone
CID 116614423
2-[1-(aminomethyl)cyclobutyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone
CID 106883115

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-pyrazin-2-ylethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-pyrazin-2-ylethanone (CID 116599519) is 2-[1-(aminomethyl)cyclobutyl]-1-pyrazin-2-ylethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-1-pyrazin-2-ylethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-1-pyrazin-2-ylethanone is NCC1(CC(=O)c2cnccn2)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-1-pyrazin-2-ylethanone?
The InChIKey is MRHIXEOXRGKVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-8-11(2-1-3-11)6-10(15)9-7-13-4-5-14-9/h4-5,7H,1-3,6,8,12H2.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-1-pyrazin-2-ylethanone?
2-[1-(aminomethyl)cyclobutyl]-1-pyrazin-2-ylethanone has a molecular weight of 205.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-1-pyrazin-2-ylethanone is sourced from PubChem (CID 116599519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).