cis-(1S,3R)-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxylic acid

C9H14N4O2 — CID 67299544

IUPACcis-(1S,3R)-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxylic acid
SMILESCn1nnnc1[C@@H]1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C9H14N4O2/c1-13-8(10-11-12-13)6-3-2-4-7(5-6)9(14)15/h6-7H,2-5H2,1H3,(H,14,15)/t6-,7+/m1/s1
InChIKeyCTGYNFSOQGRDKS-RQJHMYQMSA-N
MW210.24 g/mol
LogP0.57
Rot. Bonds2

About cis-(1S,3R)-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxylic acid

cis-(1S,3R)-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxylic acid (PubChem CID 67299544) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is cis-(1S,3R)-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxylic acid
PubChem CID67299544
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Namecis-(1S,3R)-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxylic acid
SMILESCn1nnnc1[C@@H]1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C9H14N4O2/c1-13-8(10-11-12-13)6-3-2-4-7(5-6)9(14)15/h6-7H,2-5H2,1H3,(H,14,15)/t6-,7+/m1/s1
InChIKeyCTGYNFSOQGRDKS-RQJHMYQMSA-N
XLogP0.57
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-methyltetrazol-5-yl)cyclohexyl]carbamic acid
CID 146423260
3-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
CID 103552379
3-(1-methyltetrazol-5-yl)-N-phenylpiperidine-1-carboxamide
CID 110196501
N-ethyl-N-[5-(1-methyltetrazol-5-yl)cyclooctyl]butanethioamide
CID 21295536
(2-methylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
CID 110196493
4-(1-methyltetrazol-5-yl)cyclohexan-1-amine;hydrochloride
CID 146423214
5-cyclohexyl-1-methyltetrazole;5-cyclohexyl-2-methyltetrazole
CID 157441490
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxamide
CID 67299637
(1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylic acid
CID 826294
3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclopentane-1-carboxylic acid
CID 103552395
trans-(1S,3S)-3-methylcyclohexane-1-carboxylic acid
CID 86308884

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxylic acid (CID 67299544) is cis-(1S,3R)-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxylic acid is Cn1nnnc1[C@@H]1CCC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxylic acid?
The InChIKey is CTGYNFSOQGRDKS-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-13-8(10-11-12-13)6-3-2-4-7(5-6)9(14)15/h6-7H,2-5H2,1H3,(H,14,15)/t6-,7+/m1/s1.
What are the key properties of cis-(1S,3R)-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxylic acid?
cis-(1S,3R)-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxylic acid has a molecular weight of 210.24 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 67299544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).