(2R,3R,4R,5S,6E)-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol

C21H23N5O5 — CID 10764850

IUPAC(2R,3R,4R,5S,6E)-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)/C=N/Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C21H23N5O5/c27-12-16(29)20(31)19(30)15(28)11-22-25-21-23-17(13-7-3-1-4-8-13)18(24-26-21)14-9-5-2-6-10-14/h1-11,15-16,19-20,27-31H,12H2,(H,23,25,26)/b22-11+/t15-,16+,19+,20+/m0/s1
InChIKeyHUBNXGRZAYFUOR-RRVNKGKXSA-N
MW425.45 g/mol
LogP0.04
Rot. Bonds9

About (2R,3R,4R,5S,6E)-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol

(2R,3R,4R,5S,6E)-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol (PubChem CID 10764850) has the molecular formula C21H23N5O5 and a molecular weight of 425.45 g/mol. Its IUPAC name is (2R,3R,4R,5S,6E)-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6E)-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol
PubChem CID10764850
Molecular FormulaC21H23N5O5
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC Name(2R,3R,4R,5S,6E)-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)/C=N/Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C21H23N5O5/c27-12-16(29)20(31)19(30)15(28)11-22-25-21-23-17(13-7-3-1-4-8-13)18(24-26-21)14-9-5-2-6-10-14/h1-11,15-16,19-20,27-31H,12H2,(H,23,25,26)/b22-11+/t15-,16+,19+,20+/m0/s1
InChIKeyHUBNXGRZAYFUOR-RRVNKGKXSA-N
XLogP0.04
TPSA164.21 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.45
LogP ≤ 50.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R,3R,4R,5S,6E)-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6E)-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3R,4R,5S,6E)-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol (CID 10764850) is (2R,3R,4R,5S,6E)-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3R,4R,5S,6E)-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3R,4R,5S,6E)-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol is OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)/C=N/Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of (2R,3R,4R,5S,6E)-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol?
The InChIKey is HUBNXGRZAYFUOR-RRVNKGKXSA-N. The full InChI is InChI=1S/C21H23N5O5/c27-12-16(29)20(31)19(30)15(28)11-22-25-21-23-17(13-7-3-1-4-8-13)18(24-26-21)14-9-5-2-6-10-14/h1-11,15-16,19-20,27-31H,12H2,(H,23,25,26)/b22-11+/t15-,16+,19+,20+/m0/s1.
What are the key properties of (2R,3R,4R,5S,6E)-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol?
(2R,3R,4R,5S,6E)-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol has a molecular weight of 425.45 g/mol, XLogP of 0.04, 9 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6E)-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 10764850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).