1-(furan-2-yl)-1-[7-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-3-ylhydrazine

C22H18N6OS — CID 70108205

IUPAC1-(furan-2-yl)-1-[7-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-3-ylhydrazine
SMILESCSc1ccc(-c2cc(N(Nc3cccnc3)c3ccco3)n3ncnc3c2)cc1
InChIInChI=1S/C22H18N6OS/c1-30-19-8-6-16(7-9-19)17-12-20-24-15-25-27(20)21(13-17)28(22-5-3-11-29-22)26-18-4-2-10-23-14-18/h2-15,26H,1H3
InChIKeyQIEGTSQZDAYQKO-UHFFFAOYSA-N
MW414.49 g/mol
LogP5.27
Rot. Bonds6

About 1-(furan-2-yl)-1-[7-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-3-ylhydrazine

1-(furan-2-yl)-1-[7-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-3-ylhydrazine (PubChem CID 70108205) has the molecular formula C22H18N6OS and a molecular weight of 414.49 g/mol. Its IUPAC name is 1-(furan-2-yl)-1-[7-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-3-ylhydrazine.

Molecular Properties

Compound Name1-(furan-2-yl)-1-[7-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-3-ylhydrazine
PubChem CID70108205
Molecular FormulaC22H18N6OS
Molecular Weight414.49 g/mol
Exact Mass414.13
IUPAC Name1-(furan-2-yl)-1-[7-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-3-ylhydrazine
SMILESCSc1ccc(-c2cc(N(Nc3cccnc3)c3ccco3)n3ncnc3c2)cc1
InChIInChI=1S/C22H18N6OS/c1-30-19-8-6-16(7-9-19)17-12-20-24-15-25-27(20)21(13-17)28(22-5-3-11-29-22)26-18-4-2-10-23-14-18/h2-15,26H,1H3
InChIKeyQIEGTSQZDAYQKO-UHFFFAOYSA-N
XLogP5.27
TPSA71.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-1-[7-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-3-ylhydrazine?
The IUPAC name of 1-(furan-2-yl)-1-[7-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-3-ylhydrazine (CID 70108205) is 1-(furan-2-yl)-1-[7-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-3-ylhydrazine.
What is the SMILES notation for 1-(furan-2-yl)-1-[7-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-3-ylhydrazine?
The canonical SMILES for 1-(furan-2-yl)-1-[7-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-3-ylhydrazine is CSc1ccc(-c2cc(N(Nc3cccnc3)c3ccco3)n3ncnc3c2)cc1.
What is the InChIKey of 1-(furan-2-yl)-1-[7-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-3-ylhydrazine?
The InChIKey is QIEGTSQZDAYQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6OS/c1-30-19-8-6-16(7-9-19)17-12-20-24-15-25-27(20)21(13-17)28(22-5-3-11-29-22)26-18-4-2-10-23-14-18/h2-15,26H,1H3.
What are the key properties of 1-(furan-2-yl)-1-[7-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-3-ylhydrazine?
1-(furan-2-yl)-1-[7-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-3-ylhydrazine has a molecular weight of 414.49 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-1-[7-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-3-ylhydrazine is sourced from PubChem (CID 70108205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).