1-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-[(E)-3-phenylsulfanylbut-1-enyl]hydrazine

C25H23N5S — CID 14950980

IUPAC1-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-[(E)-3-phenylsulfanylbut-1-enyl]hydrazine
SMILESCC(/C=C/NNc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Sc1ccccc1
InChIInChI=1S/C25H23N5S/c1-19(31-22-15-9-4-10-16-22)17-18-26-29-25-27-23(20-11-5-2-6-12-20)24(28-30-25)21-13-7-3-8-14-21/h2-19,26H,1H3,(H,27,29,30)/b18-17+
InChIKeyCPKZRGCASWJQEE-ISLYRVAYSA-N
MW425.56 g/mol
LogP5.82
Rot. Bonds8

About 1-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-[(E)-3-phenylsulfanylbut-1-enyl]hydrazine

1-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-[(E)-3-phenylsulfanylbut-1-enyl]hydrazine (PubChem CID 14950980) has the molecular formula C25H23N5S and a molecular weight of 425.56 g/mol. Its IUPAC name is 1-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-[(E)-3-phenylsulfanylbut-1-enyl]hydrazine.

Molecular Properties

Compound Name1-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-[(E)-3-phenylsulfanylbut-1-enyl]hydrazine
PubChem CID14950980
Molecular FormulaC25H23N5S
Molecular Weight425.56 g/mol
Exact Mass425.17
IUPAC Name1-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-[(E)-3-phenylsulfanylbut-1-enyl]hydrazine
SMILESCC(/C=C/NNc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Sc1ccccc1
InChIInChI=1S/C25H23N5S/c1-19(31-22-15-9-4-10-16-22)17-18-26-29-25-27-23(20-11-5-2-6-12-20)24(28-30-25)21-13-7-3-8-14-21/h2-19,26H,1H3,(H,27,29,30)/b18-17+
InChIKeyCPKZRGCASWJQEE-ISLYRVAYSA-N
XLogP5.82
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.56
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-[(E)-3-phenylsulfanylbut-1-enyl]hydrazine?
The IUPAC name of 1-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-[(E)-3-phenylsulfanylbut-1-enyl]hydrazine (CID 14950980) is 1-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-[(E)-3-phenylsulfanylbut-1-enyl]hydrazine.
What is the SMILES notation for 1-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-[(E)-3-phenylsulfanylbut-1-enyl]hydrazine?
The canonical SMILES for 1-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-[(E)-3-phenylsulfanylbut-1-enyl]hydrazine is CC(/C=C/NNc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Sc1ccccc1.
What is the InChIKey of 1-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-[(E)-3-phenylsulfanylbut-1-enyl]hydrazine?
The InChIKey is CPKZRGCASWJQEE-ISLYRVAYSA-N. The full InChI is InChI=1S/C25H23N5S/c1-19(31-22-15-9-4-10-16-22)17-18-26-29-25-27-23(20-11-5-2-6-12-20)24(28-30-25)21-13-7-3-8-14-21/h2-19,26H,1H3,(H,27,29,30)/b18-17+.
What are the key properties of 1-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-[(E)-3-phenylsulfanylbut-1-enyl]hydrazine?
1-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-[(E)-3-phenylsulfanylbut-1-enyl]hydrazine has a molecular weight of 425.56 g/mol, XLogP of 5.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-[(E)-3-phenylsulfanylbut-1-enyl]hydrazine is sourced from PubChem (CID 14950980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).