N-[2-(hydroxymethyl)cyclohexyl]-2-methyltriazole-4-carboxamide

C11H18N4O2 — CID 114284665

IUPACN-[2-(hydroxymethyl)cyclohexyl]-2-methyltriazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CCCCC2CO)n1
InChIInChI=1S/C11H18N4O2/c1-15-12-6-10(14-15)11(17)13-9-5-3-2-4-8(9)7-16/h6,8-9,16H,2-5,7H2,1H3,(H,13,17)
InChIKeyXQYIHKLBSZVWEH-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.10
Rot. Bonds3

About N-[2-(hydroxymethyl)cyclohexyl]-2-methyltriazole-4-carboxamide

N-[2-(hydroxymethyl)cyclohexyl]-2-methyltriazole-4-carboxamide (PubChem CID 114284665) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-2-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-2-methyltriazole-4-carboxamide
PubChem CID114284665
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-2-methyltriazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CCCCC2CO)n1
InChIInChI=1S/C11H18N4O2/c1-15-12-6-10(14-15)11(17)13-9-5-3-2-4-8(9)7-16/h6,8-9,16H,2-5,7H2,1H3,(H,13,17)
InChIKeyXQYIHKLBSZVWEH-UHFFFAOYSA-N
XLogP0.10
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromocyclopentyl)-2-methyltriazole-4-carboxamide
CID 130521070
N-cycloheptyl-2-methyltriazole-4-carboxamide
CID 110691433
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
N-[2-(hydroxymethyl)cyclohexyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 106364538
N-[2-(hydroxymethyl)cyclohexyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021776
4-amino-1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide
CID 106358691
N-hydroxy-2-methyltriazole-4-carboxamide
CID 137244792
N-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide
CID 106366042
2-acetamido-N-[2-(hydroxymethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 103798441
N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
CID 103798546
N-(cyclopropylmethyl)-2-methyltriazole-4-carboxamide
CID 130608801
N-[2-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 113259272

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-methyltriazole-4-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-methyltriazole-4-carboxamide (CID 114284665) is N-[2-(hydroxymethyl)cyclohexyl]-2-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-2-methyltriazole-4-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-2-methyltriazole-4-carboxamide is Cn1ncc(C(=O)NC2CCCCC2CO)n1.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-2-methyltriazole-4-carboxamide?
The InChIKey is XQYIHKLBSZVWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-15-12-6-10(14-15)11(17)13-9-5-3-2-4-8(9)7-16/h6,8-9,16H,2-5,7H2,1H3,(H,13,17).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-2-methyltriazole-4-carboxamide?
N-[2-(hydroxymethyl)cyclohexyl]-2-methyltriazole-4-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-2-methyltriazole-4-carboxamide is sourced from PubChem (CID 114284665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).