1-cyclobutyl-3-(1-methyltriazol-4-yl)propan-2-one

C10H15N3O — CID 107063090

IUPAC1-cyclobutyl-3-(1-methyltriazol-4-yl)propan-2-one
SMILESCn1cc(CC(=O)CC2CCC2)nn1
InChIInChI=1S/C10H15N3O/c1-13-7-9(11-12-13)6-10(14)5-8-3-2-4-8/h7-8H,2-6H2,1H3
InChIKeyQFLCOCXZCGYXTR-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.12
Rot. Bonds4

About 1-cyclobutyl-3-(1-methyltriazol-4-yl)propan-2-one

1-cyclobutyl-3-(1-methyltriazol-4-yl)propan-2-one (PubChem CID 107063090) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-cyclobutyl-3-(1-methyltriazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-cyclobutyl-3-(1-methyltriazol-4-yl)propan-2-one
PubChem CID107063090
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-cyclobutyl-3-(1-methyltriazol-4-yl)propan-2-one
SMILESCn1cc(CC(=O)CC2CCC2)nn1
InChIInChI=1S/C10H15N3O/c1-13-7-9(11-12-13)6-10(14)5-8-3-2-4-8/h7-8H,2-6H2,1H3
InChIKeyQFLCOCXZCGYXTR-UHFFFAOYSA-N
XLogP1.12
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclohexyl-1-(1-methyltriazol-4-yl)butan-2-one
CID 107063124
1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methyltriazol-4-yl)propan-2-one
CID 107062863
1-(1-methyltriazol-4-yl)-4-piperidin-3-ylbutan-2-one
CID 107061927
1-(1-methyltriazol-4-yl)-4-pyrrolidin-3-ylbutan-2-one
CID 107062450
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
4-methyl-1-(1-methyltriazol-4-yl)hexan-2-one
CID 107062841
1-(azepan-2-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062173
1-(4-fluorophenyl)-3-(1-methyltriazol-4-yl)propan-2-one
CID 107046860
1-(4-bromophenyl)-3-(1-methyltriazol-4-yl)propan-2-one
CID 107046831
N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 107043593
3-methyl-1-(1-methyltriazol-4-yl)but-3-en-2-one
CID 107047590
1-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propan-2-one
CID 107043029

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(1-methyltriazol-4-yl)propan-2-one?
The IUPAC name of 1-cyclobutyl-3-(1-methyltriazol-4-yl)propan-2-one (CID 107063090) is 1-cyclobutyl-3-(1-methyltriazol-4-yl)propan-2-one.
What is the SMILES notation for 1-cyclobutyl-3-(1-methyltriazol-4-yl)propan-2-one?
The canonical SMILES for 1-cyclobutyl-3-(1-methyltriazol-4-yl)propan-2-one is Cn1cc(CC(=O)CC2CCC2)nn1.
What is the InChIKey of 1-cyclobutyl-3-(1-methyltriazol-4-yl)propan-2-one?
The InChIKey is QFLCOCXZCGYXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-13-7-9(11-12-13)6-10(14)5-8-3-2-4-8/h7-8H,2-6H2,1H3.
What are the key properties of 1-cyclobutyl-3-(1-methyltriazol-4-yl)propan-2-one?
1-cyclobutyl-3-(1-methyltriazol-4-yl)propan-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(1-methyltriazol-4-yl)propan-2-one is sourced from PubChem (CID 107063090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).