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

C16H13N5O — CID 135439690

IUPAC4-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N\Nc2nncc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H13N5O/c22-14-8-6-12(7-9-14)10-17-20-16-19-15(11-18-21-16)13-4-2-1-3-5-13/h1-11,22H,(H,19,20,21)/b17-10-
InChIKeyVVCZGBVVALFMJF-YVLHZVERSA-N
MW291.31 g/mol
LogP2.69
Rot. Bonds4

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

4-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol (PubChem CID 135439690) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol
PubChem CID135439690
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name4-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N\Nc2nncc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H13N5O/c22-14-8-6-12(7-9-14)10-17-20-16-19-15(11-18-21-16)13-4-2-1-3-5-13/h1-11,22H,(H,19,20,21)/b17-10-
InChIKeyVVCZGBVVALFMJF-YVLHZVERSA-N
XLogP2.69
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(E)-{2-[5-(4-Methoxyphenyl)-1,2,4-triazin-3-YL]hydrazin-1-ylidene}methyl]phenol
CID 135439774
4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-B][1,2,4]triazin-3-Yl]methyl]phenol
CID 11324689
4-(3-Amino-5-phenyl-1,2,4-triazin-6-yl)-2,6-dimethylphenol
CID 136074047
4-[(6-Phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol
CID 11381132
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
3-Ethoxy-4-hydroxybenzaldehyde (5-phenyl-1,2,4-triazin-3-yl)hydrazone
CID 135439780
Phenol, 4-(3-methyl-1,2,4-triazolo(4,3-b)(1,2,4)triazin-7-yl)-
CID 3070762
N-(3-Methoxy-benzylidene)-N'-(5-phenyl-[1,2,4]triazin-3-yl)-hydrazine
CID 6410893
4-Hydroxy-3-methoxybenzaldehyde [5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazone
CID 135497923

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol (CID 135439690) is 4-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol is Oc1ccc(/C=N\Nc2nncc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol?
The InChIKey is VVCZGBVVALFMJF-YVLHZVERSA-N. The full InChI is InChI=1S/C16H13N5O/c22-14-8-6-12(7-9-14)10-17-20-16-19-15(11-18-21-16)13-4-2-1-3-5-13/h1-11,22H,(H,19,20,21)/b17-10-.
What are the key properties of 4-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol?
4-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol has a molecular weight of 291.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135439690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).