2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-(4-methylcyclohexyl)acetamide

C15H26N4O2 — CID 154807871

IUPAC2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)Cn2cnn(C(C)(C)C)c2=O)CC1
InChIInChI=1S/C15H26N4O2/c1-11-5-7-12(8-6-11)17-13(20)9-18-10-16-19(14(18)21)15(2,3)4/h10-12H,5-9H2,1-4H3,(H,17,20)
InChIKeyKEQQQZYIQSTTSP-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.49
Rot. Bonds3

About 2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-(4-methylcyclohexyl)acetamide

2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-(4-methylcyclohexyl)acetamide (PubChem CID 154807871) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-(4-methylcyclohexyl)acetamide
PubChem CID154807871
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)Cn2cnn(C(C)(C)C)c2=O)CC1
InChIInChI=1S/C15H26N4O2/c1-11-5-7-12(8-6-11)17-13(20)9-18-10-16-19(14(18)21)15(2,3)4/h10-12H,5-9H2,1-4H3,(H,17,20)
InChIKeyKEQQQZYIQSTTSP-UHFFFAOYSA-N
XLogP1.49
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-(4-methylcyclohexyl)acetamide (CID 154807871) is 2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)Cn2cnn(C(C)(C)C)c2=O)CC1.
What is the InChIKey of 2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-(4-methylcyclohexyl)acetamide?
The InChIKey is KEQQQZYIQSTTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11-5-7-12(8-6-11)17-13(20)9-18-10-16-19(14(18)21)15(2,3)4/h10-12H,5-9H2,1-4H3,(H,17,20).
What are the key properties of 2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-(4-methylcyclohexyl)acetamide?
2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-(4-methylcyclohexyl)acetamide has a molecular weight of 294.40 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 154807871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).