1-[1-[(3-methylcyclohexyl)methyl]azetidin-3-yl]triazole-4-carboxylic acid

C14H22N4O2 — CID 79308962

IUPAC1-[1-[(3-methylcyclohexyl)methyl]azetidin-3-yl]triazole-4-carboxylic acid
SMILESCC1CCCC(CN2CC(n3cc(C(=O)O)nn3)C2)C1
InChIInChI=1S/C14H22N4O2/c1-10-3-2-4-11(5-10)6-17-7-12(8-17)18-9-13(14(19)20)15-16-18/h9-12H,2-8H2,1H3,(H,19,20)
InChIKeyNSPNNNMOJWNWKC-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.66
Rot. Bonds4

About 1-[1-[(3-methylcyclohexyl)methyl]azetidin-3-yl]triazole-4-carboxylic acid

1-[1-[(3-methylcyclohexyl)methyl]azetidin-3-yl]triazole-4-carboxylic acid (PubChem CID 79308962) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[1-[(3-methylcyclohexyl)methyl]azetidin-3-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(3-methylcyclohexyl)methyl]azetidin-3-yl]triazole-4-carboxylic acid
PubChem CID79308962
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-[1-[(3-methylcyclohexyl)methyl]azetidin-3-yl]triazole-4-carboxylic acid
SMILESCC1CCCC(CN2CC(n3cc(C(=O)O)nn3)C2)C1
InChIInChI=1S/C14H22N4O2/c1-10-3-2-4-11(5-10)6-17-7-12(8-17)18-9-13(14(19)20)15-16-18/h9-12H,2-8H2,1H3,(H,19,20)
InChIKeyNSPNNNMOJWNWKC-UHFFFAOYSA-N
XLogP1.66
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(3-methylcyclohexyl)methyl]azetidin-3-yl]triazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2-ethylsulfonylethyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311999
1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79309455
1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311767
1-(1-pentylazetidin-3-yl)triazole-4-carboxylic acid
CID 79309450
1-[1-(3-ethylsulfonylpropyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311135
1-[1-(3-cyclopentylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 75356198
1-[1-[2-(1-methylpiperidin-2-yl)ethyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79310159
1-[1-[(3-methylcyclopentyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 114548843
1-[1-(3-aminopropyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79309694
1-[1-(cyclopentylmethylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311935
1-[1-[2-(ethylamino)-2-oxoethyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79311995
1-[1-(2-ethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79308948

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methylcyclohexyl)methyl]azetidin-3-yl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-[(3-methylcyclohexyl)methyl]azetidin-3-yl]triazole-4-carboxylic acid (CID 79308962) is 1-[1-[(3-methylcyclohexyl)methyl]azetidin-3-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-[(3-methylcyclohexyl)methyl]azetidin-3-yl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-[(3-methylcyclohexyl)methyl]azetidin-3-yl]triazole-4-carboxylic acid is CC1CCCC(CN2CC(n3cc(C(=O)O)nn3)C2)C1.
What is the InChIKey of 1-[1-[(3-methylcyclohexyl)methyl]azetidin-3-yl]triazole-4-carboxylic acid?
The InChIKey is NSPNNNMOJWNWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-3-2-4-11(5-10)6-17-7-12(8-17)18-9-13(14(19)20)15-16-18/h9-12H,2-8H2,1H3,(H,19,20).
What are the key properties of 1-[1-[(3-methylcyclohexyl)methyl]azetidin-3-yl]triazole-4-carboxylic acid?
1-[1-[(3-methylcyclohexyl)methyl]azetidin-3-yl]triazole-4-carboxylic acid has a molecular weight of 278.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methylcyclohexyl)methyl]azetidin-3-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 79308962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).