N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

C13H22N4O3 — CID 110007615

IUPACN-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCn1cnn(CC(=O)NCC(O)C2CCCCC2)c1=O
InChIInChI=1S/C13H22N4O3/c1-16-9-15-17(13(16)20)8-12(19)14-7-11(18)10-5-3-2-4-6-10/h9-11,18H,2-8H2,1H3,(H,14,19)
InChIKeyQRLWMIAXXRZGFI-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.36
Rot. Bonds5

About N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 110007615) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID110007615
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC NameN-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCn1cnn(CC(=O)NCC(O)C2CCCCC2)c1=O
InChIInChI=1S/C13H22N4O3/c1-16-9-15-17(13(16)20)8-12(19)14-7-11(18)10-5-3-2-4-6-10/h9-11,18H,2-8H2,1H3,(H,14,19)
InChIKeyQRLWMIAXXRZGFI-UHFFFAOYSA-N
XLogP-0.36
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 110007615) is N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is Cn1cnn(CC(=O)NCC(O)C2CCCCC2)c1=O.
What is the InChIKey of N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is QRLWMIAXXRZGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-16-9-15-17(13(16)20)8-12(19)14-7-11(18)10-5-3-2-4-6-10/h9-11,18H,2-8H2,1H3,(H,14,19).
What are the key properties of N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 282.34 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 110007615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).