(3-ethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone

C11H17N3O — CID 65363445

IUPAC(3-ethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESCCC1CCCC(C(=O)c2ncn[nH]2)C1
InChIInChI=1S/C11H17N3O/c1-2-8-4-3-5-9(6-8)10(15)11-12-7-13-14-11/h7-9H,2-6H2,1H3,(H,12,13,14)
InChIKeyLTDXNMQSFVDJEE-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.20
Rot. Bonds3

About (3-ethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone

(3-ethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 65363445) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID65363445
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(3-ethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESCCC1CCCC(C(=O)c2ncn[nH]2)C1
InChIInChI=1S/C11H17N3O/c1-2-8-4-3-5-9(6-8)10(15)11-12-7-13-14-11/h7-9H,2-6H2,1H3,(H,12,13,14)
InChIKeyLTDXNMQSFVDJEE-UHFFFAOYSA-N
XLogP2.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone
CID 65362935
(3-ethylcyclohexyl)-(2-ethylphenyl)methanone
CID 114976419
(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone
CID 114976485
(3-ethylcyclohexyl)-pyridazin-4-ylmethanone
CID 105106676
(3-ethylcyclohexyl)-(3-ethyl-2-pyridinyl)methanone
CID 82731354
(3-ethylcyclohexyl)-(4-propoxyphenyl)methanone
CID 65402526
(3-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65402525
(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone
CID 65406793
2,3-dihydro-1H-indol-5-yl-(3-ethylcyclohexyl)methanone
CID 116554085
(4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone
CID 114640760
(2-cyclobutylphenyl)-(3-ethylcyclohexyl)methanone
CID 114601910
(3-ethylcyclohexyl)-(3-methylthiophen-2-yl)methanone
CID 79990878

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of (3-ethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone (CID 65363445) is (3-ethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for (3-ethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for (3-ethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone is CCC1CCCC(C(=O)c2ncn[nH]2)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is LTDXNMQSFVDJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-8-4-3-5-9(6-8)10(15)11-12-7-13-14-11/h7-9H,2-6H2,1H3,(H,12,13,14).
What are the key properties of (3-ethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone?
(3-ethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 207.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 65363445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).