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

C11H18N4O2 — CID 103251315

IUPAC1-[2-[(2-methylcyclopentyl)amino]ethyl]triazole-4-carboxylic acid
SMILESCC1CCCC1NCCn1cc(C(=O)O)nn1
InChIInChI=1S/C11H18N4O2/c1-8-3-2-4-9(8)12-5-6-15-7-10(11(16)17)13-14-15/h7-9,12H,2-6H2,1H3,(H,16,17)
InChIKeyONDPLKNWFNHLBC-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.75
Rot. Bonds5

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

1-[2-[(2-methylcyclopentyl)amino]ethyl]triazole-4-carboxylic acid (PubChem CID 103251315) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[2-[(2-methylcyclopentyl)amino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-methylcyclopentyl)amino]ethyl]triazole-4-carboxylic acid
PubChem CID103251315
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-[2-[(2-methylcyclopentyl)amino]ethyl]triazole-4-carboxylic acid
SMILESCC1CCCC1NCCn1cc(C(=O)O)nn1
InChIInChI=1S/C11H18N4O2/c1-8-3-2-4-9(8)12-5-6-15-7-10(11(16)17)13-14-15/h7-9,12H,2-6H2,1H3,(H,16,17)
InChIKeyONDPLKNWFNHLBC-UHFFFAOYSA-N
XLogP0.75
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(4-methylcycloheptyl)amino]ethyl]triazole-4-carboxylic acid
CID 114100939
1-[2-[(4-carbamoylcyclohexyl)amino]ethyl]triazole-4-carboxylic acid
CID 103242627
1-[2-[(2-oxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid
CID 103248575
1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid
CID 103255513
1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]triazole-4-carboxylic acid
CID 103231380
1-[2-[(1-hydroxycyclobutyl)methylamino]ethyl]triazole-4-carboxylic acid
CID 103268366
1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid
CID 43267317
1-[2-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]triazole-4-carboxylic acid
CID 114133017
1-[2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethyl]triazole-4-carboxylic acid
CID 103249483
1-[2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]ethyl]triazole-4-carboxylic acid
CID 103253419
1-[2-(pentan-3-ylamino)ethyl]triazole-4-carboxylic acid
CID 103231103
1-[2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethyl]triazole-4-carboxylic acid
CID 103256339

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylcyclopentyl)amino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(2-methylcyclopentyl)amino]ethyl]triazole-4-carboxylic acid (CID 103251315) is 1-[2-[(2-methylcyclopentyl)amino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-methylcyclopentyl)amino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(2-methylcyclopentyl)amino]ethyl]triazole-4-carboxylic acid is CC1CCCC1NCCn1cc(C(=O)O)nn1.
What is the InChIKey of 1-[2-[(2-methylcyclopentyl)amino]ethyl]triazole-4-carboxylic acid?
The InChIKey is ONDPLKNWFNHLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-3-2-4-9(8)12-5-6-15-7-10(11(16)17)13-14-15/h7-9,12H,2-6H2,1H3,(H,16,17).
What are the key properties of 1-[2-[(2-methylcyclopentyl)amino]ethyl]triazole-4-carboxylic acid?
1-[2-[(2-methylcyclopentyl)amino]ethyl]triazole-4-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylcyclopentyl)amino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 103251315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).