3-[3-(triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid

C12H18N4O3 — CID 63042025

IUPAC3-[3-(triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(CCn1ccnn1)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C12H18N4O3/c17-11(4-6-16-7-5-13-15-16)14-10-3-1-2-9(8-10)12(18)19/h5,7,9-10H,1-4,6,8H2,(H,14,17)(H,18,19)
InChIKeyGYZSOWSRHJQJBT-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.43
Rot. Bonds5

About 3-[3-(triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid

3-[3-(triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid (PubChem CID 63042025) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[3-(triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[3-(triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid
PubChem CID63042025
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name3-[3-(triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(CCn1ccnn1)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C12H18N4O3/c17-11(4-6-16-7-5-13-15-16)14-10-3-1-2-9(8-10)12(18)19/h5,7,9-10H,1-4,6,8H2,(H,14,17)(H,18,19)
InChIKeyGYZSOWSRHJQJBT-UHFFFAOYSA-N
XLogP0.43
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-3-(triazol-1-yl)propanamide
CID 81482627
N-cycloheptyl-2-(triazol-1-yl)acetamide
CID 154733961
1-methyl-2-[3-(triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 83214056
N-[1-(hydroxymethyl)cyclopropyl]-3-(triazol-1-yl)propanamide
CID 115877716
1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 43211077
1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 63006196
4-methyl-1-[3-(triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 43163099
N-(2-methylpiperidin-4-yl)-2-(triazol-1-yl)acetamide
CID 106995465
N-[(4-hydroxycyclohexyl)methyl]-3-(triazol-1-yl)propanamide
CID 114146390
3-methyl-4-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid
CID 66254512
N-(2-aminocyclopentyl)-2-(triazol-1-yl)acetamide
CID 115348385
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide
CID 127417394

Frequently Asked Questions

What is the IUPAC name of 3-[3-(triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[3-(triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid (CID 63042025) is 3-[3-(triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[3-(triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[3-(triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid is O=C(CCn1ccnn1)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[3-(triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is GYZSOWSRHJQJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c17-11(4-6-16-7-5-13-15-16)14-10-3-1-2-9(8-10)12(18)19/h5,7,9-10H,1-4,6,8H2,(H,14,17)(H,18,19).
What are the key properties of 3-[3-(triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid?
3-[3-(triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63042025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).