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

C18H17N5O3 — CID 135497923

IUPAC2-methoxy-4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol
SMILESCOc1ccc(-c2cnnc(N/N=C/c3ccc(O)c(OC)c3)n2)cc1
InChIInChI=1S/C18H17N5O3/c1-25-14-6-4-13(5-7-14)15-11-20-23-18(21-15)22-19-10-12-3-8-16(24)17(9-12)26-2/h3-11,24H,1-2H3,(H,21,22,23)/b19-10+
InChIKeyIKJGHSGBXOVMMN-VXLYETTFSA-N
MW351.37 g/mol
LogP2.71
Rot. Bonds6

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

2-methoxy-4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol (PubChem CID 135497923) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol
PubChem CID135497923
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name2-methoxy-4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol
SMILESCOc1ccc(-c2cnnc(N/N=C/c3ccc(O)c(OC)c3)n2)cc1
InChIInChI=1S/C18H17N5O3/c1-25-14-6-4-13(5-7-14)15-11-20-23-18(21-15)22-19-10-12-3-8-16(24)17(9-12)26-2/h3-11,24H,1-2H3,(H,21,22,23)/b19-10+
InChIKeyIKJGHSGBXOVMMN-VXLYETTFSA-N
XLogP2.71
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methoxy-4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

4-[(E)-{2-[5-(4-Methoxyphenyl)-1,2,4-triazin-3-YL]hydrazin-1-ylidene}methyl]phenol
CID 135439774
6-(3,4-Dimethoxyphenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 715685
4-[(Z)-[2-(5-Phenyl-1,2,4-triazin-3-YL)hydrazin-1-ylidene]methyl]phenol
CID 135439690
3,4-Dihydroxybenzaldehyde [5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazone
CID 135497924
as-Triazine, 3-hydrazino-5-(4-methoxyphenyl)-
CID 3042264
3-[(Z)-[2-(5-Phenyl-1,2,4-triazin-3-YL)hydrazin-1-ylidene]methyl]phenol
CID 6410114
3,4-Dimethoxybenzaldehyde [5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazone
CID 9776892
4-Ethoxy-3-methoxybenzaldehyde (5-phenyl-1,2,4-triazin-3-yl)hydrazone
CID 9776894
3-Ethoxy-4-hydroxybenzaldehyde (5-phenyl-1,2,4-triazin-3-yl)hydrazone
CID 135439780
Acetic acid, 2-(5-(4-methoxyphenyl)-3-as-triazinyl)hydrazide
CID 3053956
Benzaldehyde, (5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl)hydrazone
CID 24834231
as-Triazine, 5-(3,4-dimethoxyphenyl)-3-(methylthio)-
CID 3053034

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol (CID 135497923) is 2-methoxy-4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol is COc1ccc(-c2cnnc(N/N=C/c3ccc(O)c(OC)c3)n2)cc1.
What is the InChIKey of 2-methoxy-4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol?
The InChIKey is IKJGHSGBXOVMMN-VXLYETTFSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-25-14-6-4-13(5-7-14)15-11-20-23-18(21-15)22-19-10-12-3-8-16(24)17(9-12)26-2/h3-11,24H,1-2H3,(H,21,22,23)/b19-10+.
What are the key properties of 2-methoxy-4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol?
2-methoxy-4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol has a molecular weight of 351.37 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135497923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).