2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid

C15H23N3O2 — CID 62722722

IUPAC2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
SMILESCn1nc(C2CCCC2)nc1C1CCCCC1C(=O)O
InChIInChI=1S/C15H23N3O2/c1-18-14(11-8-4-5-9-12(11)15(19)20)16-13(17-18)10-6-2-3-7-10/h10-12H,2-9H2,1H3,(H,19,20)
InChIKeyMAMOORWTZFDNIV-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.83
Rot. Bonds3

About 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid

2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid (PubChem CID 62722722) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
PubChem CID62722722
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
SMILESCn1nc(C2CCCC2)nc1C1CCCCC1C(=O)O
InChIInChI=1S/C15H23N3O2/c1-18-14(11-8-4-5-9-12(11)15(19)20)16-13(17-18)10-6-2-3-7-10/h10-12H,2-9H2,1H3,(H,19,20)
InChIKeyMAMOORWTZFDNIV-UHFFFAOYSA-N
XLogP2.83
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-2-[(1,5-dimethyl-1,2,4-triazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 45484635
methyl (1S)-2-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]cyclohexane-1-carboxylate
CID 121340222
2-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]cyclohexane-1-carboxylic acid
CID 55107734
2-[4-(2-Methylpropyl)-1,2,4-triazol-3-yl]cyclohexane-1-carboxylic acid
CID 55107782
2-(4-Cyclopentyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
CID 55107784
2-[1-[(2,5-Dimethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
CID 55108184
2-(4-Propyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
CID 55108230
2-(4-Cyclopropyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
CID 55108625
5-[2-Methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]pentanoic acid
CID 55111144
1-[(5-Ethyl-2-methyl-1,2,4-triazol-3-yl)methyl]cycloheptane-1-carboxylic acid
CID 55111185
2-(5-Tert-butyl-2-methyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
CID 55111654
3-(5-Cyclohexyl-2-methyl-1,2,4-triazol-3-yl)propanoic acid
CID 55111658

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid (CID 62722722) is 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid is Cn1nc(C2CCCC2)nc1C1CCCCC1C(=O)O.
What is the InChIKey of 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid?
The InChIKey is MAMOORWTZFDNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18-14(11-8-4-5-9-12(11)15(19)20)16-13(17-18)10-6-2-3-7-10/h10-12H,2-9H2,1H3,(H,19,20).
What are the key properties of 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid?
2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid has a molecular weight of 277.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62722722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).