N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C14H24N4O3 — CID 136703853

IUPACN-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCC(C)(C)C1CCC(O)(CNC(=O)c2n[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C14H24N4O3/c1-13(2,3)9-4-6-14(21,7-5-9)8-15-11(19)10-16-12(20)18-17-10/h9,21H,4-8H2,1-3H3,(H,15,19)(H2,16,17,18,20)
InChIKeyPAHGZHJVAYTZCN-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.80
Rot. Bonds3

About N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136703853) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136703853
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC NameN-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCC(C)(C)C1CCC(O)(CNC(=O)c2n[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C14H24N4O3/c1-13(2,3)9-4-6-14(21,7-5-9)8-15-11(19)10-16-12(20)18-17-10/h9,21H,4-8H2,1-3H3,(H,15,19)(H2,16,17,18,20)
InChIKeyPAHGZHJVAYTZCN-UHFFFAOYSA-N
XLogP0.80
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

6-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 65118751
6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 65118807
6-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 65120058
N-(2-hydroxy-2,3-dimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136697108
N-[(1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136926903

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136703853) is N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is CC(C)(C)C1CCC(O)(CNC(=O)c2n[nH]c(=O)[nH]2)CC1.
What is the InChIKey of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is PAHGZHJVAYTZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-13(2,3)9-4-6-14(21,7-5-9)8-15-11(19)10-16-12(20)18-17-10/h9,21H,4-8H2,1-3H3,(H,15,19)(H2,16,17,18,20).
What are the key properties of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 0.80, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136703853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).