N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine

C17H14BrN5O — CID 6410123

IUPACN-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
SMILESCOc1ccc(/C=N\Nc2nncc(-c3ccccc3)n2)cc1Br
InChIInChI=1S/C17H14BrN5O/c1-24-16-8-7-12(9-14(16)18)10-19-22-17-21-15(11-20-23-17)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,22,23)/b19-10-
InChIKeyXEQPXPHEBIFCLK-GRSHGNNSSA-N
MW384.24 g/mol
LogP3.76
Rot. Bonds5

About N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine

N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 6410123) has the molecular formula C17H14BrN5O and a molecular weight of 384.24 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
PubChem CID6410123
Molecular FormulaC17H14BrN5O
Molecular Weight384.24 g/mol
Exact Mass383.04
IUPAC NameN-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
SMILESCOc1ccc(/C=N\Nc2nncc(-c3ccccc3)n2)cc1Br
InChIInChI=1S/C17H14BrN5O/c1-24-16-8-7-12(9-14(16)18)10-19-22-17-21-15(11-20-23-17)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,22,23)/b19-10-
InChIKeyXEQPXPHEBIFCLK-GRSHGNNSSA-N
XLogP3.76
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 53.76
H-Bond Donors ≤ 51
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

N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338271
3-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol
CID 6410114
N-[(Z)-(4-bromophenyl)methylideneamino]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine
CID 26366885
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-[(3,4-dimethoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
CID 2846735
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline
CID 6073337
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6410125
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine
CID 53265171
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 5189695
N-[[4-(diethylamino)phenyl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 3096776
4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 2867287

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine (CID 6410123) is N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine is COc1ccc(/C=N\Nc2nncc(-c3ccccc3)n2)cc1Br.
What is the InChIKey of N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is XEQPXPHEBIFCLK-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H14BrN5O/c1-24-16-8-7-12(9-14(16)18)10-19-22-17-21-15(11-20-23-17)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,22,23)/b19-10-.
What are the key properties of N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine?
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 384.24 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 6410123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).