1-[(5-cyclopropyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid

C12H18N4O2 — CID 115437185

IUPAC1-[(5-cyclopropyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Cn2nnnc2C2CC2)CCCCC1
InChIInChI=1S/C12H18N4O2/c17-11(18)12(6-2-1-3-7-12)8-16-10(9-4-5-9)13-14-15-16/h9H,1-8H2,(H,17,18)
InChIKeyGGWOARACEZNJSS-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.59
Rot. Bonds4

About 1-[(5-cyclopropyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid

1-[(5-cyclopropyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 115437185) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[(5-cyclopropyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-cyclopropyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
PubChem CID115437185
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-[(5-cyclopropyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Cn2nnnc2C2CC2)CCCCC1
InChIInChI=1S/C12H18N4O2/c17-11(18)12(6-2-1-3-7-12)8-16-10(9-4-5-9)13-14-15-16/h9H,1-8H2,(H,17,18)
InChIKeyGGWOARACEZNJSS-UHFFFAOYSA-N
XLogP1.59
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(5-cyclopropyltetrazol-1-yl)methyl]cyclohexane-1-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-[(5-cyclopentyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 115437179
1-[[5-(1,1-dioxothiolan-3-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447114
1-[[5-(2,2-dimethylcyclopropyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 107003608
1-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437171
1-[[5-(thiolan-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 115451958
1-[[5-[(dimethylamino)methyl]tetrazol-1-yl]methyl]cycloheptane-1-carboxylic acid
CID 115444923
1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 102923005
1-[[5-(methoxymethyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
CID 115434603
1-[[5-(3-methylbutyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437134
4-(5-cycloheptyltetrazol-1-yl)butanoic acid
CID 66046769
1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 102923004
1-[[5-(furan-3-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437088

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(5-cyclopropyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid (CID 115437185) is 1-[(5-cyclopropyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-cyclopropyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(5-cyclopropyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid is O=C(O)C1(Cn2nnnc2C2CC2)CCCCC1.
What is the InChIKey of 1-[(5-cyclopropyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is GGWOARACEZNJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c17-11(18)12(6-2-1-3-7-12)8-16-10(9-4-5-9)13-14-15-16/h9H,1-8H2,(H,17,18).
What are the key properties of 1-[(5-cyclopropyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid?
1-[(5-cyclopropyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115437185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).