4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid

C10H14N4O3 — CID 63283411

IUPAC4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1cn[nH]n1
InChIInChI=1S/C10H14N4O3/c15-9(8-5-11-14-13-8)12-7-3-1-6(2-4-7)10(16)17/h5-7H,1-4H2,(H,12,15)(H,16,17)(H,11,13,14)
InChIKeyHVWQMBQTVVQGAA-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.18
Rot. Bonds3

About 4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid

4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 63283411) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID63283411
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1cn[nH]n1
InChIInChI=1S/C10H14N4O3/c15-9(8-5-11-14-13-8)12-7-3-1-6(2-4-7)10(16)17/h5-7H,1-4H2,(H,12,15)(H,16,17)(H,11,13,14)
InChIKeyHVWQMBQTVVQGAA-UHFFFAOYSA-N
XLogP0.18
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2H-triazole-4-carboxamide
CID 112733260
N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733318
N-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733345
N-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide
CID 125159540
N-(1-tert-butylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 112733890
4-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 60807914
N-(6-oxopiperidin-3-yl)-2H-triazole-4-carboxamide
CID 78918284
N-(2-methylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 106995382
N-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 74244989
N-(1-pyridin-2-ylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 112731973
N-(1-cyclopropylpyrrolidin-3-yl)-2H-triazole-4-carboxamide
CID 47937761
N-[(1R,2R)-2-hydroxycyclohexyl]-2H-triazole-4-carboxamide
CID 104927988

Frequently Asked Questions

What is the IUPAC name of 4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid (CID 63283411) is 4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)c1cn[nH]n1.
What is the InChIKey of 4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is HVWQMBQTVVQGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-9(8-5-11-14-13-8)12-7-3-1-6(2-4-7)10(16)17/h5-7H,1-4H2,(H,12,15)(H,16,17)(H,11,13,14).
What are the key properties of 4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid?
4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63283411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).