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

C17H14BrN5O — CID 26366885

IUPACN-[(Z)-(4-bromophenyl)methylideneamino]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(N/N=C\c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C17H14BrN5O/c1-24-15-8-4-13(5-9-15)16-11-20-23-17(21-16)22-19-10-12-2-6-14(18)7-3-12/h2-11H,1H3,(H,21,22,23)/b19-10-
InChIKeyQUMAUGKSACUPTD-GRSHGNNSSA-N
MW384.24 g/mol
LogP3.76
Rot. Bonds5

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

N-[(Z)-(4-bromophenyl)methylideneamino]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine (PubChem CID 26366885) has the molecular formula C17H14BrN5O and a molecular weight of 384.24 g/mol. Its IUPAC name is N-[(Z)-(4-bromophenyl)methylideneamino]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(Z)-(4-bromophenyl)methylideneamino]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine
PubChem CID26366885
Molecular FormulaC17H14BrN5O
Molecular Weight384.24 g/mol
Exact Mass383.04
IUPAC NameN-[(Z)-(4-bromophenyl)methylideneamino]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(N/N=C\c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C17H14BrN5O/c1-24-15-8-4-13(5-9-15)16-11-20-23-17(21-16)22-19-10-12-2-6-14(18)7-3-12/h2-11H,1H3,(H,21,22,23)/b19-10-
InChIKeyQUMAUGKSACUPTD-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-[(E)-(4-methoxyphenyl)methylideneamino]-5-[4-(2-methylpropyl)phenyl]-1,2,4-triazin-3-amine
CID 11405768
4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
CID 3092304
5-(4-methoxyphenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,2,4-triazin-3-amine
CID 7831965
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6410123
4-chloro-2-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol
CID 135588733
N-[(4-chlorophenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6790294
N-[[4-(diethylamino)phenyl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 3096776
[4-[[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 3867217
3-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol
CID 6410114
methyl 4-[[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoate
CID 2873135
2-ethoxy-4-[(E)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol
CID 135439780
2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol
CID 135421745

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine (CID 26366885) is N-[(Z)-(4-bromophenyl)methylideneamino]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(Z)-(4-bromophenyl)methylideneamino]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(Z)-(4-bromophenyl)methylideneamino]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine is COc1ccc(-c2cnnc(N/N=C\c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of N-[(Z)-(4-bromophenyl)methylideneamino]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine?
The InChIKey is QUMAUGKSACUPTD-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H14BrN5O/c1-24-15-8-4-13(5-9-15)16-11-20-23-17(21-16)22-19-10-12-2-6-14(18)7-3-12/h2-11H,1H3,(H,21,22,23)/b19-10-.
What are the key properties of N-[(Z)-(4-bromophenyl)methylideneamino]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine?
N-[(Z)-(4-bromophenyl)methylideneamino]-5-(4-methoxyphenyl)-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)-(4-bromophenyl)methylideneamino]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 26366885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).