N-[2-(hydroxymethyl)cyclohexyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C10H16N4O3 — CID 136794910

IUPACN-[2-(hydroxymethyl)cyclohexyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(NC1CCCCC1CO)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H16N4O3/c15-5-6-3-1-2-4-7(6)11-9(16)8-12-10(17)14-13-8/h6-7,15H,1-5H2,(H,11,16)(H2,12,13,14,17)
InChIKeyHCUHABMWXMATGX-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.62
Rot. Bonds3

About N-[2-(hydroxymethyl)cyclohexyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-[2-(hydroxymethyl)cyclohexyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136794910) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136794910
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(NC1CCCCC1CO)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H16N4O3/c15-5-6-3-1-2-4-7(6)11-9(16)8-12-10(17)14-13-8/h6-7,15H,1-5H2,(H,11,16)(H2,12,13,14,17)
InChIKeyHCUHABMWXMATGX-UHFFFAOYSA-N
XLogP-0.62
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(hydroxymethyl)cyclopentyl]-1H-1,2,4-triazole-5-carboxamide
CID 106361251
N-[2-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 113259272
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide
CID 103798607
2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide
CID 103860531
N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
CID 103798546
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(hydroxymethyl)cycloheptyl]acetamide
CID 119044630
N-[2-(hydroxymethyl)cyclopentyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 103759059
4-(chloromethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106359879
[(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea
CID 131092066

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136794910) is N-[2-(hydroxymethyl)cyclohexyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is O=C(NC1CCCCC1CO)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is HCUHABMWXMATGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c15-5-6-3-1-2-4-7(6)11-9(16)8-12-10(17)14-13-8/h6-7,15H,1-5H2,(H,11,16)(H2,12,13,14,17).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-[2-(hydroxymethyl)cyclohexyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 240.26 g/mol, XLogP of -0.62, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136794910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).