N-(4-butylcyclohexyl)-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide

C14H24N4O2 — CID 99626675

IUPACN-(4-butylcyclohexyl)-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
SMILESCCCCC1CCC(NC(=O)Cn2cn[nH]c2=O)CC1
InChIInChI=1S/C14H24N4O2/c1-2-3-4-11-5-7-12(8-6-11)16-13(19)9-18-10-15-17-14(18)20/h10-12H,2-9H2,1H3,(H,16,19)(H,17,20)
InChIKeyXQZZMNXBQXBOPY-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.44
Rot. Bonds6

About N-(4-butylcyclohexyl)-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide

N-(4-butylcyclohexyl)-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide (PubChem CID 99626675) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(4-butylcyclohexyl)-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-butylcyclohexyl)-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
PubChem CID99626675
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-(4-butylcyclohexyl)-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
SMILESCCCCC1CCC(NC(=O)Cn2cn[nH]c2=O)CC1
InChIInChI=1S/C14H24N4O2/c1-2-3-4-11-5-7-12(8-6-11)16-13(19)9-18-10-15-17-14(18)20/h10-12H,2-9H2,1H3,(H,16,19)(H,17,20)
InChIKeyXQZZMNXBQXBOPY-UHFFFAOYSA-N
XLogP1.44
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylcyclohexyl)-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
The IUPAC name of N-(4-butylcyclohexyl)-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide (CID 99626675) is N-(4-butylcyclohexyl)-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for N-(4-butylcyclohexyl)-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for N-(4-butylcyclohexyl)-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide is CCCCC1CCC(NC(=O)Cn2cn[nH]c2=O)CC1.
What is the InChIKey of N-(4-butylcyclohexyl)-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
The InChIKey is XQZZMNXBQXBOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-2-3-4-11-5-7-12(8-6-11)16-13(19)9-18-10-15-17-14(18)20/h10-12H,2-9H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-(4-butylcyclohexyl)-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
N-(4-butylcyclohexyl)-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide has a molecular weight of 280.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylcyclohexyl)-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 99626675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).