4-methyl-2-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid

C9H13N3O2 — CID 114392952

IUPAC4-methyl-2-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(c2ncn[nH]2)C1
InChIInChI=1S/C9H13N3O2/c1-5-2-6(7(3-5)9(13)14)8-10-4-11-12-8/h4-7H,2-3H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyGOSUHMOZDAGILH-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.02
Rot. Bonds2

About 4-methyl-2-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid

4-methyl-2-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid (PubChem CID 114392952) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-methyl-2-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid
PubChem CID114392952
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-methyl-2-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(c2ncn[nH]2)C1
InChIInChI=1S/C9H13N3O2/c1-5-2-6(7(3-5)9(13)14)8-10-4-11-12-8/h4-7H,2-3H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyGOSUHMOZDAGILH-UHFFFAOYSA-N
XLogP1.02
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid
CID 116878956
4-methyl-2-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
CID 114392958
4-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid
CID 114392973
2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-4-methylcyclopentane-1-carboxylic acid
CID 114391726
N-[5-[[(1S,2S)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzamide
CID 124883118
trans-(1S,2S)-N-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 124856442
2-(5-tert-butyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid
CID 116878954
trans-(1R,2R)-N-[6-(2-phenylethoxy)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 124731840
trans-(1S,2S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 97260090
cis-(1S,2R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 97260092
4-methyl-2-(pyrimidin-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114391221
cis-(1R,2S)-4-methyl-2-(pyrimidin-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114092674

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid (CID 114392952) is 4-methyl-2-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(c2ncn[nH]2)C1.
What is the InChIKey of 4-methyl-2-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid?
The InChIKey is GOSUHMOZDAGILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5-2-6(7(3-5)9(13)14)8-10-4-11-12-8/h4-7H,2-3H2,1H3,(H,13,14)(H,10,11,12).
What are the key properties of 4-methyl-2-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid?
4-methyl-2-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114392952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).