N-cyclohexyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide

C16H20N4O — CID 53168691

IUPACN-cyclohexyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1nc(-c2ccccc2)n[nH]1)NC1CCCCC1
InChIInChI=1S/C16H20N4O/c21-15(17-13-9-5-2-6-10-13)11-14-18-16(20-19-14)12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,17,21)(H,18,19,20)
InChIKeyDVAHFJZIWSFBJW-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.46
Rot. Bonds4

About N-cyclohexyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide

N-cyclohexyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 53168691) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID53168691
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-cyclohexyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1nc(-c2ccccc2)n[nH]1)NC1CCCCC1
InChIInChI=1S/C16H20N4O/c21-15(17-13-9-5-2-6-10-13)11-14-18-16(20-19-14)12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,17,21)(H,18,19,20)
InChIKeyDVAHFJZIWSFBJW-UHFFFAOYSA-N
XLogP2.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclohexylmethyl)-3-phenyl-1H-1,2,4-triazole
CID 61353981
N-[4-[5-[2-(cyclohexylamino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl]phenyl]-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide
CID 154851777
N-cycloheptyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3906065
N-cyclooctyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5019410
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
5-(cyclobutylmethyl)-3-phenyl-1H-1,2,4-triazole
CID 103164431
4-(3-phenyl-1H-1,2,4-triazol-5-yl)butanoic acid
CID 61352792
N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylacetamide
CID 51160966
methyl 2-[(3-phenyl-1H-1,2,4-triazol-5-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 90651139
1-cyclohexyl-3-[4-(cyclohexylcarbamoylamino)-6-phenyl-1,3,5-triazin-2-yl]urea
CID 27162469
2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]piperidine
CID 62216718
2-[(3-phenyl-1H-1,2,4-triazol-5-yl)methylsulfamoyl]cyclobutane-1-carboxylic acid
CID 166395286

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide (CID 53168691) is N-cyclohexyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide is O=C(Cc1nc(-c2ccccc2)n[nH]1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is DVAHFJZIWSFBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-15(17-13-9-5-2-6-10-13)11-14-18-16(20-19-14)12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,17,21)(H,18,19,20).
What are the key properties of N-cyclohexyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide?
N-cyclohexyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 53168691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).