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

C16H13N5O — CID 6410114

IUPAC3-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol
SMILESOc1cccc(/C=N\Nc2nncc(-c3ccccc3)n2)c1
InChIInChI=1S/C16H13N5O/c22-14-8-4-5-12(9-14)10-17-20-16-19-15(11-18-21-16)13-6-2-1-3-7-13/h1-11,22H,(H,19,20,21)/b17-10-
InChIKeyOFXOHCLOABYIHQ-YVLHZVERSA-N
MW291.31 g/mol
LogP2.69
Rot. Bonds4

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

3-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol (PubChem CID 6410114) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name3-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol
PubChem CID6410114
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name3-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol
SMILESOc1cccc(/C=N\Nc2nncc(-c3ccccc3)n2)c1
InChIInChI=1S/C16H13N5O/c22-14-8-4-5-12(9-14)10-17-20-16-19-15(11-18-21-16)13-6-2-1-3-7-13/h1-11,22H,(H,19,20,21)/b17-10-
InChIKeyOFXOHCLOABYIHQ-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-4-[(E)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol
CID 135439780
N-[(4-chlorophenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6790294
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6410123
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6410125
5-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1,2,4-triazin-3-amine
CID 7767197
N-(anthracen-9-ylmethylideneamino)-5-phenyl-1,2,4-triazin-3-amine
CID 6834108
N-[[4-(diethylamino)phenyl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 3096776
3-[[[6-anilino-2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 139976250
3-[(E)-[[4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 92856506
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338271
N-[(Z)-(4-bromophenyl)methylideneamino]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine
CID 26366885
N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
CID 2842306

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 3-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol (CID 6410114) is 3-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 3-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 3-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol is Oc1cccc(/C=N\Nc2nncc(-c3ccccc3)n2)c1.
What is the InChIKey of 3-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol?
The InChIKey is OFXOHCLOABYIHQ-YVLHZVERSA-N. The full InChI is InChI=1S/C16H13N5O/c22-14-8-4-5-12(9-14)10-17-20-16-19-15(11-18-21-16)13-6-2-1-3-7-13/h1-11,22H,(H,19,20,21)/b17-10-.
What are the key properties of 3-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol?
3-[(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 3-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 6410114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).