4-methyl-2-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid

C10H15N3O2 — CID 114392958

IUPAC4-methyl-2-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(c2ncnn2C)C1
InChIInChI=1S/C10H15N3O2/c1-6-3-7(8(4-6)10(14)15)9-11-5-12-13(9)2/h5-8H,3-4H2,1-2H3,(H,14,15)
InChIKeyUFAXDYXBNQBTHK-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.03
Rot. Bonds2

About 4-methyl-2-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid

4-methyl-2-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid (PubChem CID 114392958) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-methyl-2-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
PubChem CID114392958
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-methyl-2-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(c2ncnn2C)C1
InChIInChI=1S/C10H15N3O2/c1-6-3-7(8(4-6)10(14)15)9-11-5-12-13(9)2/h5-8H,3-4H2,1-2H3,(H,14,15)
InChIKeyUFAXDYXBNQBTHK-UHFFFAOYSA-N
XLogP1.03
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,6R)-6-(2-methyl-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic acid
CID 94552877
2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methylcyclopentane-1-carboxylic acid
CID 114392968
4-methyl-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]cyclopentane-1-carboxylic acid
CID 114392985
4-methyl-2-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid
CID 114392952
2-(4-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid
CID 114391714
2-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid
CID 114391706
2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
CID 62721046
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
2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxylic acid
CID 81007785
2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 60792986
4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114390996

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid (CID 114392958) is 4-methyl-2-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(c2ncnn2C)C1.
What is the InChIKey of 4-methyl-2-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid?
The InChIKey is UFAXDYXBNQBTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-3-7(8(4-6)10(14)15)9-11-5-12-13(9)2/h5-8H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-2-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid?
4-methyl-2-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114392958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).