(1-ethoxycyclohexyl)-(3-propyltriazol-4-yl)methanone

C14H23N3O2 — CID 114686277

IUPAC(1-ethoxycyclohexyl)-(3-propyltriazol-4-yl)methanone
SMILESCCCn1nncc1C(=O)C1(OCC)CCCCC1
InChIInChI=1S/C14H23N3O2/c1-3-10-17-12(11-15-16-17)13(18)14(19-4-2)8-6-5-7-9-14/h11H,3-10H2,1-2H3
InChIKeyCYLMKVOCLJFZKX-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.61
Rot. Bonds6

About (1-ethoxycyclohexyl)-(3-propyltriazol-4-yl)methanone

(1-ethoxycyclohexyl)-(3-propyltriazol-4-yl)methanone (PubChem CID 114686277) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (1-ethoxycyclohexyl)-(3-propyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(1-ethoxycyclohexyl)-(3-propyltriazol-4-yl)methanone
PubChem CID114686277
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(1-ethoxycyclohexyl)-(3-propyltriazol-4-yl)methanone
SMILESCCCn1nncc1C(=O)C1(OCC)CCCCC1
InChIInChI=1S/C14H23N3O2/c1-3-10-17-12(11-15-16-17)13(18)14(19-4-2)8-6-5-7-9-14/h11H,3-10H2,1-2H3
InChIKeyCYLMKVOCLJFZKX-UHFFFAOYSA-N
XLogP2.61
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethoxyoxan-4-yl)-(3-ethyltriazol-4-yl)methanone
CID 114213083
[1-(dimethylamino)cyclohexyl]-(3-propyltriazol-4-yl)methanone
CID 114685998
(4-aminooxan-4-yl)-(3-propyltriazol-4-yl)methanone
CID 114692305
(1-ethoxycycloheptyl)-(1-propylpyrazol-4-yl)methanone
CID 116750733
(4-methylpiperidin-4-yl)-(3-propyltriazol-4-yl)methanone
CID 114691980
(1-ethoxy-4,4-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methanone
CID 116750146
(1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanone
CID 114686224
cyclopenten-1-yl-(3-propyltriazol-4-yl)methanone
CID 103448123
(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanone
CID 114642836
(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanone
CID 116748199
1-(1-ethoxycyclohexyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 116748443
(3,4-dichlorophenyl)-(1-ethoxycycloheptyl)methanone
CID 116750698

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclohexyl)-(3-propyltriazol-4-yl)methanone?
The IUPAC name of (1-ethoxycyclohexyl)-(3-propyltriazol-4-yl)methanone (CID 114686277) is (1-ethoxycyclohexyl)-(3-propyltriazol-4-yl)methanone.
What is the SMILES notation for (1-ethoxycyclohexyl)-(3-propyltriazol-4-yl)methanone?
The canonical SMILES for (1-ethoxycyclohexyl)-(3-propyltriazol-4-yl)methanone is CCCn1nncc1C(=O)C1(OCC)CCCCC1.
What is the InChIKey of (1-ethoxycyclohexyl)-(3-propyltriazol-4-yl)methanone?
The InChIKey is CYLMKVOCLJFZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-10-17-12(11-15-16-17)13(18)14(19-4-2)8-6-5-7-9-14/h11H,3-10H2,1-2H3.
What are the key properties of (1-ethoxycyclohexyl)-(3-propyltriazol-4-yl)methanone?
(1-ethoxycyclohexyl)-(3-propyltriazol-4-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclohexyl)-(3-propyltriazol-4-yl)methanone is sourced from PubChem (CID 114686277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).