4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one

C17H13BrN4O2 — CID 135885808

IUPAC4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one
SMILESCc1nnc(-c2ccccc2)c(=O)n1/N=C\c1cc(Br)ccc1O
InChIInChI=1S/C17H13BrN4O2/c1-11-20-21-16(12-5-3-2-4-6-12)17(24)22(11)19-10-13-9-14(18)7-8-15(13)23/h2-10,23H,1H3/b19-10-
InChIKeyFUBCYQKCTYQHMK-GRSHGNNSSA-N
MW385.22 g/mol
LogP2.96
Rot. Bonds3

About 4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one

4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one (PubChem CID 135885808) has the molecular formula C17H13BrN4O2 and a molecular weight of 385.22 g/mol. Its IUPAC name is 4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one
PubChem CID135885808
Molecular FormulaC17H13BrN4O2
Molecular Weight385.22 g/mol
Exact Mass384.02
IUPAC Name4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one
SMILESCc1nnc(-c2ccccc2)c(=O)n1/N=C\c1cc(Br)ccc1O
InChIInChI=1S/C17H13BrN4O2/c1-11-20-21-16(12-5-3-2-4-6-12)17(24)22(11)19-10-13-9-14(18)7-8-15(13)23/h2-10,23H,1H3/b19-10-
InChIKeyFUBCYQKCTYQHMK-GRSHGNNSSA-N
XLogP2.96
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.22
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[(Z)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]phenol
CID 135844835
4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one
CID 1202494
4-bromo-2-[(Z)-carbazol-9-yliminomethyl]phenol
CID 136846388
3-methyl-6-phenyl-4-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,2,4-triazin-5-one
CID 34883174
3-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one
CID 136736825
6-bromo-3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 137125807
6-bromo-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 135926154
6-bromo-3-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 137125747
4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
CID 136689727
2-[3-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]indol-1-yl]acetamide
CID 126299930
4-phenyldiazenyl-2-[(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)iminomethyl]phenol
CID 4588127
3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 136721220

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one?
The IUPAC name of 4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one (CID 135885808) is 4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one.
What is the SMILES notation for 4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one?
The canonical SMILES for 4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one is Cc1nnc(-c2ccccc2)c(=O)n1/N=C\c1cc(Br)ccc1O.
What is the InChIKey of 4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one?
The InChIKey is FUBCYQKCTYQHMK-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H13BrN4O2/c1-11-20-21-16(12-5-3-2-4-6-12)17(24)22(11)19-10-13-9-14(18)7-8-15(13)23/h2-10,23H,1H3/b19-10-.
What are the key properties of 4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one?
4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one has a molecular weight of 385.22 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one is sourced from PubChem (CID 135885808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).