1-[2-[(1-ethylcyclopentyl)methylamino]ethyl]triazole-4-carboxylic acid

C13H22N4O2 — CID 114126015

IUPAC1-[2-[(1-ethylcyclopentyl)methylamino]ethyl]triazole-4-carboxylic acid
SMILESCCC1(CNCCn2cc(C(=O)O)nn2)CCCC1
InChIInChI=1S/C13H22N4O2/c1-2-13(5-3-4-6-13)10-14-7-8-17-9-11(12(18)19)15-16-17/h9,14H,2-8,10H2,1H3,(H,18,19)
InChIKeyCOXBGAXCBXURTD-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.54
Rot. Bonds7

About 1-[2-[(1-ethylcyclopentyl)methylamino]ethyl]triazole-4-carboxylic acid

1-[2-[(1-ethylcyclopentyl)methylamino]ethyl]triazole-4-carboxylic acid (PubChem CID 114126015) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2-[(1-ethylcyclopentyl)methylamino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1-ethylcyclopentyl)methylamino]ethyl]triazole-4-carboxylic acid
PubChem CID114126015
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-[2-[(1-ethylcyclopentyl)methylamino]ethyl]triazole-4-carboxylic acid
SMILESCCC1(CNCCn2cc(C(=O)O)nn2)CCCC1
InChIInChI=1S/C13H22N4O2/c1-2-13(5-3-4-6-13)10-14-7-8-17-9-11(12(18)19)15-16-17/h9,14H,2-8,10H2,1H3,(H,18,19)
InChIKeyCOXBGAXCBXURTD-UHFFFAOYSA-N
XLogP1.54
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-[(1-ethylcyclopentyl)methylamino]ethyl]triazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Octyltriazole-4-carboxylic acid
CID 62060247
1-Hexyltriazole-4-carboxylic acid
CID 62060578
1-Decyltriazole-4-carboxylic acid
CID 62223096
1-(4-aminobutyl)-1H-1,2,3-triazole-4-carboxylic acid hydrochloride
CID 121552255
1-(piperidin-4-yl)-1H-1,2,3-triazole-4-carboxylic acid hydrochloride
CID 122163375
1-[(1S,2R)-2-(2-ethylbutanoylamino)cyclohexyl]triazole-4-carboxylic acid
CID 138018305
1-(Piperidin-4-yl)-1H-1,2,3-triazole-4-carboxylic acid
CID 67479620
1-(cyclohexylmethyl)-1H-1,2,3-triazole-4-carboxylic acid
CID 56861434
1-[2-(5,5,5-Trifluoropentylamino)ethyl]triazole-4-carboxylic acid
CID 113795610
1-[2-[(1-Cyclopentyl-2,2,2-trifluoroethyl)amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 121865592
1-[2-Oxo-2-[(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)amino]ethyl]triazole-4-carboxylic acid
CID 121920310
1-[(1S,2R)-2-[1-(3,3-difluorocyclobutyl)ethylamino]cyclohexyl]triazole-4-carboxylic acid
CID 167828579

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethylcyclopentyl)methylamino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(1-ethylcyclopentyl)methylamino]ethyl]triazole-4-carboxylic acid (CID 114126015) is 1-[2-[(1-ethylcyclopentyl)methylamino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(1-ethylcyclopentyl)methylamino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(1-ethylcyclopentyl)methylamino]ethyl]triazole-4-carboxylic acid is CCC1(CNCCn2cc(C(=O)O)nn2)CCCC1.
What is the InChIKey of 1-[2-[(1-ethylcyclopentyl)methylamino]ethyl]triazole-4-carboxylic acid?
The InChIKey is COXBGAXCBXURTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-13(5-3-4-6-13)10-14-7-8-17-9-11(12(18)19)15-16-17/h9,14H,2-8,10H2,1H3,(H,18,19).
What are the key properties of 1-[2-[(1-ethylcyclopentyl)methylamino]ethyl]triazole-4-carboxylic acid?
1-[2-[(1-ethylcyclopentyl)methylamino]ethyl]triazole-4-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-ethylcyclopentyl)methylamino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 114126015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).