2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone

C9H14N4O — CID 116599888

IUPAC2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone
SMILESNCc1cn(CC(=O)C2CCC2)nn1
InChIInChI=1S/C9H14N4O/c10-4-8-5-13(12-11-8)6-9(14)7-2-1-3-7/h5,7H,1-4,6,10H2
InChIKeyOCKFRZLVFHVLJR-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.11
Rot. Bonds4

About 2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone

2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone (PubChem CID 116599888) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone
PubChem CID116599888
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone
SMILESNCc1cn(CC(=O)C2CCC2)nn1
InChIInChI=1S/C9H14N4O/c10-4-8-5-13(12-11-8)6-9(14)7-2-1-3-7/h5,7H,1-4,6,10H2
InChIKeyOCKFRZLVFHVLJR-UHFFFAOYSA-N
XLogP0.11
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-1-(oxan-3-yl)ethanone
CID 107138462
2-[4-(aminomethyl)triazol-1-yl]-1-(3-methylsulfonylcyclohexyl)ethanone
CID 116599710
2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentyl-N-ethylacetamide
CID 113314068
2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
CID 55029706
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide
CID 115458891
2-[4-(aminomethyl)triazol-1-yl]-N-cyclooctylacetamide
CID 115458881
2-[4-(aminomethyl)triazol-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 115459483
2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylcyclopentyl)acetamide
CID 115459863
2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide
CID 62055546
2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 115459133
2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylsulfanylcyclopentyl)acetamide
CID 114121457
2-[4-(aminomethyl)triazol-1-yl]-1-(2-cyclopentylpyrrolidin-1-yl)ethanone
CID 115459724

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone (CID 116599888) is 2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone is NCc1cn(CC(=O)C2CCC2)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone?
The InChIKey is OCKFRZLVFHVLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-4-8-5-13(12-11-8)6-9(14)7-2-1-3-7/h5,7H,1-4,6,10H2.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone?
2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone has a molecular weight of 194.24 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone is sourced from PubChem (CID 116599888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).