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

C14H23N3O2 — CID 62711960

IUPAC1-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)Cn1cnnc1CC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H23N3O2/c1-11(2)9-17-10-15-16-12(17)8-14(13(18)19)6-4-3-5-7-14/h10-11H,3-9H2,1-2H3,(H,18,19)
InChIKeyDRGUKNKRDXXEEA-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.51
Rot. Bonds5

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

1-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid (PubChem CID 62711960) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid
PubChem CID62711960
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)Cn1cnnc1CC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H23N3O2/c1-11(2)9-17-10-15-16-12(17)8-14(13(18)19)6-4-3-5-7-14/h10-11H,3-9H2,1-2H3,(H,18,19)
InChIKeyDRGUKNKRDXXEEA-UHFFFAOYSA-N
XLogP2.51
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid (CID 62711960) is 1-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid is CC(C)Cn1cnnc1CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is DRGUKNKRDXXEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(2)9-17-10-15-16-12(17)8-14(13(18)19)6-4-3-5-7-14/h10-11H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 1-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid?
1-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62711960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).