2,4-dichloro-6-[(E)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol

C17H13Cl2N5O2 — CID 135435636

IUPAC2,4-dichloro-6-[(E)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol
SMILESCOc1ccccc1-c1cnnc(N/N=C/c2cc(Cl)cc(Cl)c2O)n1
InChIInChI=1S/C17H13Cl2N5O2/c1-26-15-5-3-2-4-12(15)14-9-21-24-17(22-14)23-20-8-10-6-11(18)7-13(19)16(10)25/h2-9,25H,1H3,(H,22,23,24)/b20-8+
InChIKeyNWUUUCXUWKHYSP-DNTJNYDQSA-N
MW390.23 g/mol
LogP4.01
Rot. Bonds5

About 2,4-dichloro-6-[(E)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol

2,4-dichloro-6-[(E)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol (PubChem CID 135435636) has the molecular formula C17H13Cl2N5O2 and a molecular weight of 390.23 g/mol. Its IUPAC name is 2,4-dichloro-6-[(E)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(E)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol
PubChem CID135435636
Molecular FormulaC17H13Cl2N5O2
Molecular Weight390.23 g/mol
Exact Mass389.04
IUPAC Name2,4-dichloro-6-[(E)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol
SMILESCOc1ccccc1-c1cnnc(N/N=C/c2cc(Cl)cc(Cl)c2O)n1
InChIInChI=1S/C17H13Cl2N5O2/c1-26-15-5-3-2-4-12(15)14-9-21-24-17(22-14)23-20-8-10-6-11(18)7-13(19)16(10)25/h2-9,25H,1H3,(H,22,23,24)/b20-8+
InChIKeyNWUUUCXUWKHYSP-DNTJNYDQSA-N
XLogP4.01
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(E)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(E)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol (CID 135435636) is 2,4-dichloro-6-[(E)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(E)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(E)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol is COc1ccccc1-c1cnnc(N/N=C/c2cc(Cl)cc(Cl)c2O)n1.
What is the InChIKey of 2,4-dichloro-6-[(E)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol?
The InChIKey is NWUUUCXUWKHYSP-DNTJNYDQSA-N. The full InChI is InChI=1S/C17H13Cl2N5O2/c1-26-15-5-3-2-4-12(15)14-9-21-24-17(22-14)23-20-8-10-6-11(18)7-13(19)16(10)25/h2-9,25H,1H3,(H,22,23,24)/b20-8+.
What are the key properties of 2,4-dichloro-6-[(E)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol?
2,4-dichloro-6-[(E)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol has a molecular weight of 390.23 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(E)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135435636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).