1,3-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazole-4-carbonitrile

C12H10N6S — CID 63752524

IUPAC1,3-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazole-4-carbonitrile
SMILESCc1nn(C)c(Sc2nnc3ccccn23)c1C#N
InChIInChI=1S/C12H10N6S/c1-8-9(7-13)11(17(2)16-8)19-12-15-14-10-5-3-4-6-18(10)12/h3-6H,1-2H3
InChIKeyLPSMHOKTLOKWPF-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.79
Rot. Bonds2

About 1,3-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazole-4-carbonitrile

1,3-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazole-4-carbonitrile (PubChem CID 63752524) has the molecular formula C12H10N6S and a molecular weight of 270.32 g/mol. Its IUPAC name is 1,3-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazole-4-carbonitrile
PubChem CID63752524
Molecular FormulaC12H10N6S
Molecular Weight270.32 g/mol
Exact Mass270.07
IUPAC Name1,3-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazole-4-carbonitrile
SMILESCc1nn(C)c(Sc2nnc3ccccn23)c1C#N
InChIInChI=1S/C12H10N6S/c1-8-9(7-13)11(17(2)16-8)19-12-15-14-10-5-3-4-6-18(10)12/h3-6H,1-2H3
InChIKeyLPSMHOKTLOKWPF-UHFFFAOYSA-N
XLogP1.79
TPSA71.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazole-4-carbonitrile (CID 63752524) is 1,3-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazole-4-carbonitrile is Cc1nn(C)c(Sc2nnc3ccccn23)c1C#N.
What is the InChIKey of 1,3-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazole-4-carbonitrile?
The InChIKey is LPSMHOKTLOKWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6S/c1-8-9(7-13)11(17(2)16-8)19-12-15-14-10-5-3-4-6-18(10)12/h3-6H,1-2H3.
What are the key properties of 1,3-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazole-4-carbonitrile?
1,3-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazole-4-carbonitrile has a molecular weight of 270.32 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 63752524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).