5-(aminomethyl)-1-(4-methylcyclohexyl)triazole-4-carboxylic acid

C11H18N4O2 — CID 103121955

IUPAC5-(aminomethyl)-1-(4-methylcyclohexyl)triazole-4-carboxylic acid
SMILESCC1CCC(n2nnc(C(=O)O)c2CN)CC1
InChIInChI=1S/C11H18N4O2/c1-7-2-4-8(5-3-7)15-9(6-12)10(11(16)17)13-14-15/h7-8H,2-6,12H2,1H3,(H,16,17)
InChIKeyCFBGEYINQNBUTD-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.19
Rot. Bonds3

About 5-(aminomethyl)-1-(4-methylcyclohexyl)triazole-4-carboxylic acid

5-(aminomethyl)-1-(4-methylcyclohexyl)triazole-4-carboxylic acid (PubChem CID 103121955) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-(aminomethyl)-1-(4-methylcyclohexyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(aminomethyl)-1-(4-methylcyclohexyl)triazole-4-carboxylic acid
PubChem CID103121955
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-(aminomethyl)-1-(4-methylcyclohexyl)triazole-4-carboxylic acid
SMILESCC1CCC(n2nnc(C(=O)O)c2CN)CC1
InChIInChI=1S/C11H18N4O2/c1-7-2-4-8(5-3-7)15-9(6-12)10(11(16)17)13-14-15/h7-8H,2-6,12H2,1H3,(H,16,17)
InChIKeyCFBGEYINQNBUTD-UHFFFAOYSA-N
XLogP1.19
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-(4-methylcyclohexyl)triazole-4-carboxylic acid?
The IUPAC name of 5-(aminomethyl)-1-(4-methylcyclohexyl)triazole-4-carboxylic acid (CID 103121955) is 5-(aminomethyl)-1-(4-methylcyclohexyl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-(aminomethyl)-1-(4-methylcyclohexyl)triazole-4-carboxylic acid?
The canonical SMILES for 5-(aminomethyl)-1-(4-methylcyclohexyl)triazole-4-carboxylic acid is CC1CCC(n2nnc(C(=O)O)c2CN)CC1.
What is the InChIKey of 5-(aminomethyl)-1-(4-methylcyclohexyl)triazole-4-carboxylic acid?
The InChIKey is CFBGEYINQNBUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7-2-4-8(5-3-7)15-9(6-12)10(11(16)17)13-14-15/h7-8H,2-6,12H2,1H3,(H,16,17).
What are the key properties of 5-(aminomethyl)-1-(4-methylcyclohexyl)triazole-4-carboxylic acid?
5-(aminomethyl)-1-(4-methylcyclohexyl)triazole-4-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-(4-methylcyclohexyl)triazole-4-carboxylic acid is sourced from PubChem (CID 103121955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).