(Z)-1-(4-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine

C9H7BrN4 — CID 5391184

IUPAC(Z)-1-(4-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
SMILESBrc1ccc(/C=N\c2ncn[nH]2)cc1
InChIInChI=1S/C9H7BrN4/c10-8-3-1-7(2-4-8)5-11-9-12-6-13-14-9/h1-6H,(H,12,13,14)/b11-5-
InChIKeyJOIZFRMJHFJOJW-WZUFQYTHSA-N
MW251.09 g/mol
LogP2.32
Rot. Bonds2

About (Z)-1-(4-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine

(Z)-1-(4-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine (PubChem CID 5391184) has the molecular formula C9H7BrN4 and a molecular weight of 251.09 g/mol. Its IUPAC name is (Z)-1-(4-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(4-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
PubChem CID5391184
Molecular FormulaC9H7BrN4
Molecular Weight251.09 g/mol
Exact Mass249.99
IUPAC Name(Z)-1-(4-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
SMILESBrc1ccc(/C=N\c2ncn[nH]2)cc1
InChIInChI=1S/C9H7BrN4/c10-8-3-1-7(2-4-8)5-11-9-12-6-13-14-9/h1-6H,(H,12,13,14)/b11-5-
InChIKeyJOIZFRMJHFJOJW-WZUFQYTHSA-N
XLogP2.32
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.09
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-phenylethynyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)methanimine
CID 6612362
4-[(E)-1H-1,2,4-triazol-5-yliminomethyl]benzene-1,2-diol
CID 135699033
1-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-N-(1H-1,2,4-triazol-5-yl)methanimine
CID 3437696
4-methyl-2-(1H-1,2,4-triazol-5-yliminomethyl)phenol
CID 3638940
(E)-1-(4-bromophenyl)-N-(1,3-thiazol-2-yl)methanimine
CID 10730521
5-(4-bromophenyl)-1H-1,2,4-triazole
CID 46948734
1-[(4-chlorophenyl)methylidene]-2-(1H-1,2,4-triazol-5-yl)guanidine
CID 131856449
(E)-1-[4-[2-(4-chlorophenyl)sulfanylethoxy]-3-methoxyphenyl]-N-(1H-1,2,4-triazol-5-yl)methanimine
CID 25251022
2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]-1-benzothiophen-3-ol
CID 135421629
N-[(4-bromophenyl)methylidene]hydroxylamine
CID 608088
(E)-(4-bromophenyl)methylidenehydrazine
CID 5325577
4-hydroxy-3-phenyl-5-[(E)-1H-1,2,4-triazol-5-yliminomethyl]-1,3-thiazole-2-thione
CID 137249251

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine?
The IUPAC name of (Z)-1-(4-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine (CID 5391184) is (Z)-1-(4-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine.
What is the SMILES notation for (Z)-1-(4-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine?
The canonical SMILES for (Z)-1-(4-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine is Brc1ccc(/C=N\c2ncn[nH]2)cc1.
What is the InChIKey of (Z)-1-(4-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine?
The InChIKey is JOIZFRMJHFJOJW-WZUFQYTHSA-N. The full InChI is InChI=1S/C9H7BrN4/c10-8-3-1-7(2-4-8)5-11-9-12-6-13-14-9/h1-6H,(H,12,13,14)/b11-5-.
What are the key properties of (Z)-1-(4-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine?
(Z)-1-(4-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine has a molecular weight of 251.09 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine is sourced from PubChem (CID 5391184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).