6-(1-cyclohexyltetrazol-5-yl)sulfanylpyridine-2-carbonitrile

C13H14N6S — CID 133391855

IUPAC6-(1-cyclohexyltetrazol-5-yl)sulfanylpyridine-2-carbonitrile
SMILESN#Cc1cccc(Sc2nnnn2C2CCCCC2)n1
InChIInChI=1S/C13H14N6S/c14-9-10-5-4-8-12(15-10)20-13-16-17-18-19(13)11-6-2-1-3-7-11/h4-5,8,11H,1-3,6-7H2
InChIKeyZGLMNMIWIOZZNJ-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.60
Rot. Bonds3

About 6-(1-cyclohexyltetrazol-5-yl)sulfanylpyridine-2-carbonitrile

6-(1-cyclohexyltetrazol-5-yl)sulfanylpyridine-2-carbonitrile (PubChem CID 133391855) has the molecular formula C13H14N6S and a molecular weight of 286.36 g/mol. Its IUPAC name is 6-(1-cyclohexyltetrazol-5-yl)sulfanylpyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(1-cyclohexyltetrazol-5-yl)sulfanylpyridine-2-carbonitrile
PubChem CID133391855
Molecular FormulaC13H14N6S
Molecular Weight286.36 g/mol
Exact Mass286.10
IUPAC Name6-(1-cyclohexyltetrazol-5-yl)sulfanylpyridine-2-carbonitrile
SMILESN#Cc1cccc(Sc2nnnn2C2CCCCC2)n1
InChIInChI=1S/C13H14N6S/c14-9-10-5-4-8-12(15-10)20-13-16-17-18-19(13)11-6-2-1-3-7-11/h4-5,8,11H,1-3,6-7H2
InChIKeyZGLMNMIWIOZZNJ-UHFFFAOYSA-N
XLogP2.60
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-methylpyrimidine-4-carbonitrile
CID 107551334
6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylic acid
CID 62240584
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine
CID 80882968
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methylpyridine-4-carbonitrile
CID 114769426
4-[2-(1-cyclohexyltetrazol-5-yl)sulfanylethoxy]benzonitrile
CID 27047613
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine
CID 80882455
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80869111
6-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-2-carbonitrile
CID 133392002
1-[2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorophenyl]ethanol
CID 63814144
[6-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanol
CID 80651687
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one
CID 55441518
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorobenzoic acid
CID 79516180

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclohexyltetrazol-5-yl)sulfanylpyridine-2-carbonitrile?
The IUPAC name of 6-(1-cyclohexyltetrazol-5-yl)sulfanylpyridine-2-carbonitrile (CID 133391855) is 6-(1-cyclohexyltetrazol-5-yl)sulfanylpyridine-2-carbonitrile.
What is the SMILES notation for 6-(1-cyclohexyltetrazol-5-yl)sulfanylpyridine-2-carbonitrile?
The canonical SMILES for 6-(1-cyclohexyltetrazol-5-yl)sulfanylpyridine-2-carbonitrile is N#Cc1cccc(Sc2nnnn2C2CCCCC2)n1.
What is the InChIKey of 6-(1-cyclohexyltetrazol-5-yl)sulfanylpyridine-2-carbonitrile?
The InChIKey is ZGLMNMIWIOZZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6S/c14-9-10-5-4-8-12(15-10)20-13-16-17-18-19(13)11-6-2-1-3-7-11/h4-5,8,11H,1-3,6-7H2.
What are the key properties of 6-(1-cyclohexyltetrazol-5-yl)sulfanylpyridine-2-carbonitrile?
6-(1-cyclohexyltetrazol-5-yl)sulfanylpyridine-2-carbonitrile has a molecular weight of 286.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclohexyltetrazol-5-yl)sulfanylpyridine-2-carbonitrile is sourced from PubChem (CID 133391855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).