4-[2-chloro-5-(tetrazol-1-yl)anilino]cyclohexan-1-ol

C13H16ClN5O — CID 106593857

IUPAC4-[2-chloro-5-(tetrazol-1-yl)anilino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cc(-n3cnnn3)ccc2Cl)CC1
InChIInChI=1S/C13H16ClN5O/c14-12-6-3-10(19-8-15-17-18-19)7-13(12)16-9-1-4-11(20)5-2-9/h3,6-9,11,16,20H,1-2,4-5H2
InChIKeyGPBZQFUYVDBMPE-UHFFFAOYSA-N
MW293.76 g/mol
LogP2.03
Rot. Bonds3

About 4-[2-chloro-5-(tetrazol-1-yl)anilino]cyclohexan-1-ol

4-[2-chloro-5-(tetrazol-1-yl)anilino]cyclohexan-1-ol (PubChem CID 106593857) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 4-[2-chloro-5-(tetrazol-1-yl)anilino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-chloro-5-(tetrazol-1-yl)anilino]cyclohexan-1-ol
PubChem CID106593857
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name4-[2-chloro-5-(tetrazol-1-yl)anilino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cc(-n3cnnn3)ccc2Cl)CC1
InChIInChI=1S/C13H16ClN5O/c14-12-6-3-10(19-8-15-17-18-19)7-13(12)16-9-1-4-11(20)5-2-9/h3,6-9,11,16,20H,1-2,4-5H2
InChIKeyGPBZQFUYVDBMPE-UHFFFAOYSA-N
XLogP2.03
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-chloro-5-(tetrazol-1-yl)phenyl]-1-ethylpiperidin-4-amine
CID 43697974
N-[2-chloro-5-(tetrazol-1-yl)phenyl]azepan-4-amine
CID 103981190
2-chloro-N-(3-methylcyclohexyl)-5-(tetrazol-1-yl)aniline
CID 43697984
2-chloro-N-(cyclopentylmethyl)-5-(tetrazol-1-yl)aniline
CID 62072086
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]oxan-4-amine
CID 54864011
N-(3,4-dimethylcyclohexyl)-2-methyl-5-(tetrazol-1-yl)aniline
CID 64732994
2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline
CID 43698130
(2R)-N-[2-chloro-5-(tetrazol-1-yl)phenyl]-1,4-dioxane-2-carboxamide
CID 95615182
N-[2-chloro-5-(tetrazol-1-yl)phenyl]benzamide
CID 45492656
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide
CID 103514936
3-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine
CID 79461547
2-chloro-N-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline
CID 43697927

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-5-(tetrazol-1-yl)anilino]cyclohexan-1-ol?
The IUPAC name of 4-[2-chloro-5-(tetrazol-1-yl)anilino]cyclohexan-1-ol (CID 106593857) is 4-[2-chloro-5-(tetrazol-1-yl)anilino]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-chloro-5-(tetrazol-1-yl)anilino]cyclohexan-1-ol?
The canonical SMILES for 4-[2-chloro-5-(tetrazol-1-yl)anilino]cyclohexan-1-ol is OC1CCC(Nc2cc(-n3cnnn3)ccc2Cl)CC1.
What is the InChIKey of 4-[2-chloro-5-(tetrazol-1-yl)anilino]cyclohexan-1-ol?
The InChIKey is GPBZQFUYVDBMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c14-12-6-3-10(19-8-15-17-18-19)7-13(12)16-9-1-4-11(20)5-2-9/h3,6-9,11,16,20H,1-2,4-5H2.
What are the key properties of 4-[2-chloro-5-(tetrazol-1-yl)anilino]cyclohexan-1-ol?
4-[2-chloro-5-(tetrazol-1-yl)anilino]cyclohexan-1-ol has a molecular weight of 293.76 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-5-(tetrazol-1-yl)anilino]cyclohexan-1-ol is sourced from PubChem (CID 106593857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).