2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methylcyclopentane-1-carboxylic acid

C14H23N3O2 — CID 114392968

IUPAC2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(c2nc(C(C)(C)C)nn2C)C1
InChIInChI=1S/C14H23N3O2/c1-8-6-9(10(7-8)12(18)19)11-15-13(14(2,3)4)16-17(11)5/h8-10H,6-7H2,1-5H3,(H,18,19)
InChIKeyHCBFQTGBDKBIPT-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.33
Rot. Bonds2

About 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methylcyclopentane-1-carboxylic acid

2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114392968) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methylcyclopentane-1-carboxylic acid
PubChem CID114392968
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(c2nc(C(C)(C)C)nn2C)C1
InChIInChI=1S/C14H23N3O2/c1-8-6-9(10(7-8)12(18)19)11-15-13(14(2,3)4)16-17(11)5/h8-10H,6-7H2,1-5H3,(H,18,19)
InChIKeyHCBFQTGBDKBIPT-UHFFFAOYSA-N
XLogP2.33
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,6R)-6-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic acid
CID 104963301
4-methyl-2-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
CID 114392958
2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
CID 62721046
4-methyl-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]cyclopentane-1-carboxylic acid
CID 114392985
5-(azetidin-3-yl)-3-tert-butyl-1-methyl-1,2,4-triazole
CID 84665686
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-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
CID 62720546
2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)morpholine
CID 62720908
4-methyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
CID 114392630
2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 60792986
4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390455

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methylcyclopentane-1-carboxylic acid (CID 114392968) is 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methylcyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(c2nc(C(C)(C)C)nn2C)C1.
What is the InChIKey of 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is HCBFQTGBDKBIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-8-6-9(10(7-8)12(18)19)11-15-13(14(2,3)4)16-17(11)5/h8-10H,6-7H2,1-5H3,(H,18,19).
What are the key properties of 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methylcyclopentane-1-carboxylic acid?
2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114392968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).