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

C16H25N3O2 — CID 61362393

IUPAC1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCc1nnc(CC2(C(=O)O)CCCCC2)n1C1CCCC1
InChIInChI=1S/C16H25N3O2/c1-12-17-18-14(19(12)13-7-3-4-8-13)11-16(15(20)21)9-5-2-6-10-16/h13H,2-11H2,1H3,(H,20,21)
InChIKeyAIOHRFQYLIMQEK-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.28
Rot. Bonds4

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

1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 61362393) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid
PubChem CID61362393
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCc1nnc(CC2(C(=O)O)CCCCC2)n1C1CCCC1
InChIInChI=1S/C16H25N3O2/c1-12-17-18-14(19(12)13-7-3-4-8-13)11-16(15(20)21)9-5-2-6-10-16/h13H,2-11H2,1H3,(H,20,21)
InChIKeyAIOHRFQYLIMQEK-UHFFFAOYSA-N
XLogP3.28
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

5-Ethyl-3-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 89903923
2-[4-(3-Methyl-1,2,4-triazol-4-yl)cyclohexyl]acetic acid
CID 121439133
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-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid
CID 55108085
2-(4-Propyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
CID 55108230
2-[1-[(4-Propyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
CID 55108277
1-[(4-Propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid
CID 55108623
1-[(4-Propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 55108624
2-(4-Cyclopropyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
CID 55108625
1-[(4-Methyl-1,2,4-triazol-3-yl)methyl]cycloheptane-1-carboxylic acid
CID 55108774
1-[(5-Ethyl-2-methyl-1,2,4-triazol-3-yl)methyl]cycloheptane-1-carboxylic acid
CID 55111185

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid (CID 61362393) is 1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid is Cc1nnc(CC2(C(=O)O)CCCCC2)n1C1CCCC1.
What is the InChIKey of 1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is AIOHRFQYLIMQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-17-18-14(19(12)13-7-3-4-8-13)11-16(15(20)21)9-5-2-6-10-16/h13H,2-11H2,1H3,(H,20,21).
What are the key properties of 1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid?
1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61362393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).