2-cyclobutyl-1-(3-propyltriazol-4-yl)ethanone

C11H17N3O — CID 103168087

IUPAC2-cyclobutyl-1-(3-propyltriazol-4-yl)ethanone
SMILESCCCn1nncc1C(=O)CC1CCC1
InChIInChI=1S/C11H17N3O/c1-2-6-14-10(8-12-13-14)11(15)7-9-4-3-5-9/h8-9H,2-7H2,1H3
InChIKeyBRUJQINERJHLHL-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.06
Rot. Bonds5

About 2-cyclobutyl-1-(3-propyltriazol-4-yl)ethanone

2-cyclobutyl-1-(3-propyltriazol-4-yl)ethanone (PubChem CID 103168087) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-cyclobutyl-1-(3-propyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-(3-propyltriazol-4-yl)ethanone
PubChem CID103168087
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-cyclobutyl-1-(3-propyltriazol-4-yl)ethanone
SMILESCCCn1nncc1C(=O)CC1CCC1
InChIInChI=1S/C11H17N3O/c1-2-6-14-10(8-12-13-14)11(15)7-9-4-3-5-9/h8-9H,2-7H2,1H3
InChIKeyBRUJQINERJHLHL-UHFFFAOYSA-N
XLogP2.06
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(3-propyltriazol-4-yl)ethanone?
The IUPAC name of 2-cyclobutyl-1-(3-propyltriazol-4-yl)ethanone (CID 103168087) is 2-cyclobutyl-1-(3-propyltriazol-4-yl)ethanone.
What is the SMILES notation for 2-cyclobutyl-1-(3-propyltriazol-4-yl)ethanone?
The canonical SMILES for 2-cyclobutyl-1-(3-propyltriazol-4-yl)ethanone is CCCn1nncc1C(=O)CC1CCC1.
What is the InChIKey of 2-cyclobutyl-1-(3-propyltriazol-4-yl)ethanone?
The InChIKey is BRUJQINERJHLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-6-14-10(8-12-13-14)11(15)7-9-4-3-5-9/h8-9H,2-7H2,1H3.
What are the key properties of 2-cyclobutyl-1-(3-propyltriazol-4-yl)ethanone?
2-cyclobutyl-1-(3-propyltriazol-4-yl)ethanone has a molecular weight of 207.28 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(3-propyltriazol-4-yl)ethanone is sourced from PubChem (CID 103168087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).