1-(1-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)ethanone

C11H17N3O — CID 13209193

IUPAC1-(1-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)ethanone
SMILESCC1(C(=O)Cn2cncn2)CCCCC1
InChIInChI=1S/C11H17N3O/c1-11(5-3-2-4-6-11)10(15)7-14-9-12-8-13-14/h8-9H,2-7H2,1H3
InChIKeyMDAJQFZSGYLPLJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.82
Rot. Bonds3

About 1-(1-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)ethanone

1-(1-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 13209193) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(1-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(1-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID13209193
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(1-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)ethanone
SMILESCC1(C(=O)Cn2cncn2)CCCCC1
InChIInChI=1S/C11H17N3O/c1-11(5-3-2-4-6-11)10(15)7-14-9-12-8-13-14/h8-9H,2-7H2,1H3
InChIKeyMDAJQFZSGYLPLJ-UHFFFAOYSA-N
XLogP1.82
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-(1-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)ethanone (CID 13209193) is 1-(1-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-(1-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-(1-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)ethanone is CC1(C(=O)Cn2cncn2)CCCCC1.
What is the InChIKey of 1-(1-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is MDAJQFZSGYLPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-11(5-3-2-4-6-11)10(15)7-14-9-12-8-13-14/h8-9H,2-7H2,1H3.
What are the key properties of 1-(1-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)ethanone?
1-(1-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 207.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 13209193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).