2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid

C11H17N3O2 — CID 107058978

IUPAC2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCn1cc(CC2CCCCC2C(=O)O)nn1
InChIInChI=1S/C11H17N3O2/c1-14-7-9(12-13-14)6-8-4-2-3-5-10(8)11(15)16/h7-8,10H,2-6H2,1H3,(H,15,16)
InChIKeyVILGQSNYOZVQOH-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.25
Rot. Bonds3

About 2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid

2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 107058978) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid
PubChem CID107058978
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCn1cc(CC2CCCCC2C(=O)O)nn1
InChIInChI=1S/C11H17N3O2/c1-14-7-9(12-13-14)6-8-4-2-3-5-10(8)11(15)16/h7-8,10H,2-6H2,1H3,(H,15,16)
InChIKeyVILGQSNYOZVQOH-UHFFFAOYSA-N
XLogP1.25
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 107058992
2-methyl-3-[(1-methyltriazol-4-yl)methyl]cyclopentan-1-ol
CID 107055028
2-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 81008175
4-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 107044940
2-cyclopentyl-3-(1-methyltriazol-4-yl)propanoic acid
CID 107045186
7-[(1-methyltriazol-4-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 107044968
2-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-one
CID 107044522
1-(azepan-2-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062173
(2-methylcyclohexyl)-(1-methyltriazol-4-yl)methanone
CID 130905526
2-[(1-methyltriazol-4-yl)methyl]cyclopentan-1-one
CID 107044513
2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid
CID 81008075
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid (CID 107058978) is 2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid is Cn1cc(CC2CCCCC2C(=O)O)nn1.
What is the InChIKey of 2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is VILGQSNYOZVQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14-7-9(12-13-14)6-8-4-2-3-5-10(8)11(15)16/h7-8,10H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid?
2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107058978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).