1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid

C11H18N4O2 — CID 43267317

IUPAC1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid
SMILESCN(CCn1cc(C(=O)O)nn1)C1CCCC1
InChIInChI=1S/C11H18N4O2/c1-14(9-4-2-3-5-9)6-7-15-8-10(11(16)17)12-13-15/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyHTJSHWOPTXVPMT-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.85
Rot. Bonds5

About 1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid

1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid (PubChem CID 43267317) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid
PubChem CID43267317
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid
SMILESCN(CCn1cc(C(=O)O)nn1)C1CCCC1
InChIInChI=1S/C11H18N4O2/c1-14(9-4-2-3-5-9)6-7-15-8-10(11(16)17)12-13-15/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyHTJSHWOPTXVPMT-UHFFFAOYSA-N
XLogP0.85
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[methyl(oxolan-3-yl)amino]ethyl]triazole-4-carboxylic acid
CID 82753610
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylcyclopentanamine
CID 62419091
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]triazole-4-carboxylic acid
CID 61442683
1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazole-4-carboxylic acid
CID 63711885
1-[2-(4-hydroxy-N-methylanilino)ethyl]triazole-4-carboxylic acid
CID 62254735
1-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]triazole-4-carboxylic acid
CID 43564382
N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclopentanamine
CID 62418703
1-[2-[cyclopentyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid
CID 63316438
1-[2-[(2-methylcyclopentyl)amino]ethyl]triazole-4-carboxylic acid
CID 103251315
1-[2-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]triazole-4-carboxylic acid
CID 114133017
1-[2-[bis(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid
CID 61418872
1-[2-[(4-methylcycloheptyl)amino]ethyl]triazole-4-carboxylic acid
CID 114100939

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid (CID 43267317) is 1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid is CN(CCn1cc(C(=O)O)nn1)C1CCCC1.
What is the InChIKey of 1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid?
The InChIKey is HTJSHWOPTXVPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-14(9-4-2-3-5-9)6-7-15-8-10(11(16)17)12-13-15/h8-9H,2-7H2,1H3,(H,16,17).
What are the key properties of 1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid?
1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 43267317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).