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

C17H15N5O2 — CID 135439774

IUPAC4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol
SMILESCOc1ccc(-c2cnnc(N/N=C/c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C17H15N5O2/c1-24-15-8-4-13(5-9-15)16-11-19-22-17(20-16)21-18-10-12-2-6-14(23)7-3-12/h2-11,23H,1H3,(H,20,21,22)/b18-10+
InChIKeySNLSIVQVKGPUOU-VCHYOVAHSA-N
MW321.34 g/mol
LogP2.70
Rot. Bonds5

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

4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol (PubChem CID 135439774) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol
PubChem CID135439774
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol
SMILESCOc1ccc(-c2cnnc(N/N=C/c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C17H15N5O2/c1-24-15-8-4-13(5-9-15)16-11-19-22-17(20-16)21-18-10-12-2-6-14(23)7-3-12/h2-11,23H,1H3,(H,20,21,22)/b18-10+
InChIKeySNLSIVQVKGPUOU-VCHYOVAHSA-N
XLogP2.70
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

4-[(Z)-[2-(5-Phenyl-1,2,4-triazin-3-YL)hydrazin-1-ylidene]methyl]phenol
CID 135439690
2-(4-Methoxyphenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine
CID 624456
3,4-Dihydroxybenzaldehyde [5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazone
CID 135497924
N~1~-[(E)-(4-methoxyphenyl)methylidene]-4-phenyl-1H-imidazole-1,2-diamine
CID 6858585
as-Triazine, 3-hydrazino-5-(4-methoxyphenyl)-
CID 3042264
1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(4-methoxyphenyl)-
CID 3054503
3-[(Z)-[2-(5-Phenyl-1,2,4-triazin-3-YL)hydrazin-1-ylidene]methyl]phenol
CID 6410114
1-(3-Phenyl-1,2,4-triazin-5-yl)ethanone (4-methoxyphenyl)hydrazone
CID 6412288
3-[(2E)-2-[(2E)-3-(Furan-2-YL)prop-2-EN-1-ylidene]hydrazin-1-YL]-5-(4-methoxyphenyl)-1,2,4-triazine
CID 9776887
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
5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde [5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazone
CID 20846846

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol (CID 135439774) is 4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol is COc1ccc(-c2cnnc(N/N=C/c3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol?
The InChIKey is SNLSIVQVKGPUOU-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-24-15-8-4-13(5-9-15)16-11-19-22-17(20-16)21-18-10-12-2-6-14(23)7-3-12/h2-11,23H,1H3,(H,20,21,22)/b18-10+.
What are the key properties of 4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol?
4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol has a molecular weight of 321.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135439774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).