2-(2-ethylcyclohexyl)oxy-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide

C17H23N5O2 — CID 155950641

IUPAC2-(2-ethylcyclohexyl)oxy-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCCC1CCCCC1OCC(=O)Nc1n[nH]c(-c2ccncc2)n1
InChIInChI=1S/C17H23N5O2/c1-2-12-5-3-4-6-14(12)24-11-15(23)19-17-20-16(21-22-17)13-7-9-18-10-8-13/h7-10,12,14H,2-6,11H2,1H3,(H2,19,20,21,22,23)
InChIKeyHLMCMPJGLWBFNJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.79
Rot. Bonds6

About 2-(2-ethylcyclohexyl)oxy-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide

2-(2-ethylcyclohexyl)oxy-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 155950641) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(2-ethylcyclohexyl)oxy-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-ethylcyclohexyl)oxy-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID155950641
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-(2-ethylcyclohexyl)oxy-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCCC1CCCCC1OCC(=O)Nc1n[nH]c(-c2ccncc2)n1
InChIInChI=1S/C17H23N5O2/c1-2-12-5-3-4-6-14(12)24-11-15(23)19-17-20-16(21-22-17)13-7-9-18-10-8-13/h7-10,12,14H,2-6,11H2,1H3,(H2,19,20,21,22,23)
InChIKeyHLMCMPJGLWBFNJ-UHFFFAOYSA-N
XLogP2.79
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylcyclohexyl)oxy-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(2-ethylcyclohexyl)oxy-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide (CID 155950641) is 2-(2-ethylcyclohexyl)oxy-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-ethylcyclohexyl)oxy-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(2-ethylcyclohexyl)oxy-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide is CCC1CCCCC1OCC(=O)Nc1n[nH]c(-c2ccncc2)n1.
What is the InChIKey of 2-(2-ethylcyclohexyl)oxy-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is HLMCMPJGLWBFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-12-5-3-4-6-14(12)24-11-15(23)19-17-20-16(21-22-17)13-7-9-18-10-8-13/h7-10,12,14H,2-6,11H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 2-(2-ethylcyclohexyl)oxy-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide?
2-(2-ethylcyclohexyl)oxy-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 329.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylcyclohexyl)oxy-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 155950641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).