[2-ethyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine

C12H13N7S — CID 80940852

IUPAC[2-ethyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)cc(Sc2nnc3ccccn23)n1
InChIInChI=1S/C12H13N7S/c1-2-8-14-9(16-13)7-11(15-8)20-12-18-17-10-5-3-4-6-19(10)12/h3-7H,2,13H2,1H3,(H,14,15,16)
InChIKeyIRGYYLQMOVBMPI-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.52
Rot. Bonds4

About [2-ethyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine

[2-ethyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine (PubChem CID 80940852) has the molecular formula C12H13N7S and a molecular weight of 287.35 g/mol. Its IUPAC name is [2-ethyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-ethyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine
PubChem CID80940852
Molecular FormulaC12H13N7S
Molecular Weight287.35 g/mol
Exact Mass287.10
IUPAC Name[2-ethyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)cc(Sc2nnc3ccccn23)n1
InChIInChI=1S/C12H13N7S/c1-2-8-14-9(16-13)7-11(15-8)20-12-18-17-10-5-3-4-6-19(10)12/h3-7H,2,13H2,1H3,(H,14,15,16)
InChIKeyIRGYYLQMOVBMPI-UHFFFAOYSA-N
XLogP1.52
TPSA94.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-ethyl-5-methyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 81001449
[2-ethyl-6-(2-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 80939777
6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775157
[5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80929836
5-methyl-2-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-amine
CID 80990134
N-methyl-1-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-3-pyridinyl]methanamine
CID 80650906
[5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-yl]hydrazine
CID 103062084
[2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 107766316
(2S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 104889221
3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
CID 80970201
2-ethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 1039342
[5-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methanamine
CID 107931468

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-ethyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine (CID 80940852) is [2-ethyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-ethyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-ethyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine is CCc1nc(NN)cc(Sc2nnc3ccccn23)n1.
What is the InChIKey of [2-ethyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The InChIKey is IRGYYLQMOVBMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7S/c1-2-8-14-9(16-13)7-11(15-8)20-12-18-17-10-5-3-4-6-19(10)12/h3-7H,2,13H2,1H3,(H,14,15,16).
What are the key properties of [2-ethyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine?
[2-ethyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine has a molecular weight of 287.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80940852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).