1-[(5R)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]-2-[(E,3R)-3-(2-methylphenyl)sulfanyl-3-phenylprop-1-enyl]hydrazine

C31H29N5S — CID 93475605

IUPAC1-[(5R)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]-2-[(E,3R)-3-(2-methylphenyl)sulfanyl-3-phenylprop-1-enyl]hydrazine
SMILESCc1ccccc1S[C@H](/C=C/NNC1=N[C@H](c2ccccc2)C(c2ccccc2)=NN1)c1ccccc1
InChIInChI=1S/C31H29N5S/c1-23-13-11-12-20-27(23)37-28(24-14-5-2-6-15-24)21-22-32-35-31-33-29(25-16-7-3-8-17-25)30(34-36-31)26-18-9-4-10-19-26/h2-22,28-29,32H,1H3,(H2,33,35,36)/b22-21+/t28-,29-/m1/s1
InChIKeyGUTPNHLGSTVLGX-PHJMZONKSA-N
MW503.68 g/mol
LogP6.54
Rot. Bonds8

About 1-[(5R)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]-2-[(E,3R)-3-(2-methylphenyl)sulfanyl-3-phenylprop-1-enyl]hydrazine

1-[(5R)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]-2-[(E,3R)-3-(2-methylphenyl)sulfanyl-3-phenylprop-1-enyl]hydrazine (PubChem CID 93475605) has the molecular formula C31H29N5S and a molecular weight of 503.68 g/mol. Its IUPAC name is 1-[(5R)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]-2-[(E,3R)-3-(2-methylphenyl)sulfanyl-3-phenylprop-1-enyl]hydrazine.

Molecular Properties

Compound Name1-[(5R)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]-2-[(E,3R)-3-(2-methylphenyl)sulfanyl-3-phenylprop-1-enyl]hydrazine
PubChem CID93475605
Molecular FormulaC31H29N5S
Molecular Weight503.68 g/mol
Exact Mass503.21
IUPAC Name1-[(5R)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]-2-[(E,3R)-3-(2-methylphenyl)sulfanyl-3-phenylprop-1-enyl]hydrazine
SMILESCc1ccccc1S[C@H](/C=C/NNC1=N[C@H](c2ccccc2)C(c2ccccc2)=NN1)c1ccccc1
InChIInChI=1S/C31H29N5S/c1-23-13-11-12-20-27(23)37-28(24-14-5-2-6-15-24)21-22-32-35-31-33-29(25-16-7-3-8-17-25)30(34-36-31)26-18-9-4-10-19-26/h2-22,28-29,32H,1H3,(H2,33,35,36)/b22-21+/t28-,29-/m1/s1
InChIKeyGUTPNHLGSTVLGX-PHJMZONKSA-N
XLogP6.54
TPSA60.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.68
LogP ≤ 56.54
H-Bond Donors ≤ 53
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-[(5R)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]-2-[(E,3R)-3-(2-methylphenyl)sulfanyl-3-phenylprop-1-enyl]hydrazine?
The IUPAC name of 1-[(5R)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]-2-[(E,3R)-3-(2-methylphenyl)sulfanyl-3-phenylprop-1-enyl]hydrazine (CID 93475605) is 1-[(5R)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]-2-[(E,3R)-3-(2-methylphenyl)sulfanyl-3-phenylprop-1-enyl]hydrazine.
What is the SMILES notation for 1-[(5R)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]-2-[(E,3R)-3-(2-methylphenyl)sulfanyl-3-phenylprop-1-enyl]hydrazine?
The canonical SMILES for 1-[(5R)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]-2-[(E,3R)-3-(2-methylphenyl)sulfanyl-3-phenylprop-1-enyl]hydrazine is Cc1ccccc1S[C@H](/C=C/NNC1=N[C@H](c2ccccc2)C(c2ccccc2)=NN1)c1ccccc1.
What is the InChIKey of 1-[(5R)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]-2-[(E,3R)-3-(2-methylphenyl)sulfanyl-3-phenylprop-1-enyl]hydrazine?
The InChIKey is GUTPNHLGSTVLGX-PHJMZONKSA-N. The full InChI is InChI=1S/C31H29N5S/c1-23-13-11-12-20-27(23)37-28(24-14-5-2-6-15-24)21-22-32-35-31-33-29(25-16-7-3-8-17-25)30(34-36-31)26-18-9-4-10-19-26/h2-22,28-29,32H,1H3,(H2,33,35,36)/b22-21+/t28-,29-/m1/s1.
What are the key properties of 1-[(5R)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]-2-[(E,3R)-3-(2-methylphenyl)sulfanyl-3-phenylprop-1-enyl]hydrazine?
1-[(5R)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]-2-[(E,3R)-3-(2-methylphenyl)sulfanyl-3-phenylprop-1-enyl]hydrazine has a molecular weight of 503.68 g/mol, XLogP of 6.54, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]-2-[(E,3R)-3-(2-methylphenyl)sulfanyl-3-phenylprop-1-enyl]hydrazine is sourced from PubChem (CID 93475605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).