2-[2-(1-cyclohexyltetrazol-5-yl)sulfanylethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C15H19N7OS — CID 128926789

IUPAC2-[2-(1-cyclohexyltetrazol-5-yl)sulfanylethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCSc2nnnn2C2CCCCC2)nc2ccccn12
InChIInChI=1S/C15H19N7OS/c23-15-20-9-5-4-8-13(20)17-21(15)10-11-24-14-16-18-19-22(14)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2
InChIKeyJIMMPNLHYKHPEC-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.78
Rot. Bonds5

About 2-[2-(1-cyclohexyltetrazol-5-yl)sulfanylethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(1-cyclohexyltetrazol-5-yl)sulfanylethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 128926789) has the molecular formula C15H19N7OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 2-[2-(1-cyclohexyltetrazol-5-yl)sulfanylethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(1-cyclohexyltetrazol-5-yl)sulfanylethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID128926789
Molecular FormulaC15H19N7OS
Molecular Weight345.43 g/mol
Exact Mass345.14
IUPAC Name2-[2-(1-cyclohexyltetrazol-5-yl)sulfanylethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCSc2nnnn2C2CCCCC2)nc2ccccn12
InChIInChI=1S/C15H19N7OS/c23-15-20-9-5-4-8-13(20)17-21(15)10-11-24-14-16-18-19-22(14)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2
InChIKeyJIMMPNLHYKHPEC-UHFFFAOYSA-N
XLogP1.78
TPSA82.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[2-(1-cyclohexyltetrazol-5-yl)sulfanylethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

2-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42956624
2-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropyl]isoindole-1,3-dione
CID 35192052
1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970
2-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 78859239
3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one
CID 115659166
1-[3-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]pyrazol-3-amine
CID 63310896
3-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-1,3-benzoxazol-2-one
CID 46573150
2-[(1-cyclopentylpyrazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115701777
3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 37044918
1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061939
1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione
CID 35363829
N,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
CID 3870642

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-cyclohexyltetrazol-5-yl)sulfanylethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(1-cyclohexyltetrazol-5-yl)sulfanylethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 128926789) is 2-[2-(1-cyclohexyltetrazol-5-yl)sulfanylethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(1-cyclohexyltetrazol-5-yl)sulfanylethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(1-cyclohexyltetrazol-5-yl)sulfanylethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CCSc2nnnn2C2CCCCC2)nc2ccccn12.
What is the InChIKey of 2-[2-(1-cyclohexyltetrazol-5-yl)sulfanylethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is JIMMPNLHYKHPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7OS/c23-15-20-9-5-4-8-13(20)17-21(15)10-11-24-14-16-18-19-22(14)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2.
What are the key properties of 2-[2-(1-cyclohexyltetrazol-5-yl)sulfanylethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(1-cyclohexyltetrazol-5-yl)sulfanylethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 345.43 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-cyclohexyltetrazol-5-yl)sulfanylethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 128926789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).