7-[(1-methyltriazol-4-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C11H16N4O2 — CID 107044968

IUPAC7-[(1-methyltriazol-4-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCn1cc(CN2C3CCC2C(C(=O)O)C3)nn1
InChIInChI=1S/C11H16N4O2/c1-14-5-7(12-13-14)6-15-8-2-3-10(15)9(4-8)11(16)17/h5,8-10H,2-4,6H2,1H3,(H,16,17)
InChIKeyVPUIXFVTZOWADO-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.25
Rot. Bonds3

About 7-[(1-methyltriazol-4-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-[(1-methyltriazol-4-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 107044968) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 7-[(1-methyltriazol-4-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-[(1-methyltriazol-4-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID107044968
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name7-[(1-methyltriazol-4-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCn1cc(CN2C3CCC2C(C(=O)O)C3)nn1
InChIInChI=1S/C11H16N4O2/c1-14-5-7(12-13-14)6-15-8-2-3-10(15)9(4-8)11(16)17/h5,8-10H,2-4,6H2,1H3,(H,16,17)
InChIKeyVPUIXFVTZOWADO-UHFFFAOYSA-N
XLogP0.25
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[(1-methyltriazol-4-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-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

7-[(1,3-dimethylpyrazol-4-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 83094170
7-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 83084003
4-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 107044940
2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 107058978
1-[(1-methyltriazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 107043962
4-ethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 107058992
7-[(4-bromo-3-methylphenyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 66479121
7-(4-methylsulfanylbutyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 103090473
7-[(3-bromo-5-fluorophenyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79702103
1-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propan-2-one
CID 107043029
1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062983
7-(2-ethyl-2-hydroxybutyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 114494996

Frequently Asked Questions

What is the IUPAC name of 7-[(1-methyltriazol-4-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-[(1-methyltriazol-4-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 107044968) is 7-[(1-methyltriazol-4-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-[(1-methyltriazol-4-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-[(1-methyltriazol-4-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is Cn1cc(CN2C3CCC2C(C(=O)O)C3)nn1.
What is the InChIKey of 7-[(1-methyltriazol-4-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is VPUIXFVTZOWADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-14-5-7(12-13-14)6-15-8-2-3-10(15)9(4-8)11(16)17/h5,8-10H,2-4,6H2,1H3,(H,16,17).
What are the key properties of 7-[(1-methyltriazol-4-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-[(1-methyltriazol-4-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-methyltriazol-4-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 107044968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).