(E)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine

C10H9BrN4O — CID 5341189

IUPAC(E)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCOc1ccc(Br)cc1/C=N/n1cnnc1
InChIInChI=1S/C10H9BrN4O/c1-16-10-3-2-9(11)4-8(10)5-14-15-6-12-13-7-15/h2-7H,1H3/b14-5+
InChIKeyLZNJLSIVOGQRTR-LHHJGKSTSA-N
MW281.11 g/mol
LogP1.93
Rot. Bonds3

About (E)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine

(E)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 5341189) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is (E)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID5341189
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC Name(E)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCOc1ccc(Br)cc1/C=N/n1cnnc1
InChIInChI=1S/C10H9BrN4O/c1-16-10-3-2-9(11)4-8(10)5-14-15-6-12-13-7-15/h2-7H,1H3/b14-5+
InChIKeyLZNJLSIVOGQRTR-LHHJGKSTSA-N
XLogP1.93
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(3-bromo-4-methoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine
CID 5339238
2-(5-aminotetrazol-1-yl)-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 6884643
3-bromo-4-methoxybenzaldehyde (4-amino-4H-1,2,4-triazol-3-yl)hydrazone
CID 9585798
(NE)-N-[(4-Ethoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine
CID 6858418
[1-(3,5-Dibromo-2-methoxy-phenyl)-meth-(E)-ylidene]-(3,5-dimethyl-[1,2,4]triazol-4-yl)-amine
CID 9568632
4H-1,2,4-Triazol-4-amine, N-[(2-methoxyphenyl)methylene]-
CID 5337603
1-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6858628
4-bromo-2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenol
CID 135569092
(E)-1-(5-bromo-2-methoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
CID 5726273
(E)-1-(4-fluoro-3-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 156012224
(E)-1-(2-fluoro-4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 156017450
N-[(E)-(4-methoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine
CID 6858566

Frequently Asked Questions

What is the IUPAC name of (E)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine (CID 5341189) is (E)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is COc1ccc(Br)cc1/C=N/n1cnnc1.
What is the InChIKey of (E)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is LZNJLSIVOGQRTR-LHHJGKSTSA-N. The full InChI is InChI=1S/C10H9BrN4O/c1-16-10-3-2-9(11)4-8(10)5-14-15-6-12-13-7-15/h2-7H,1H3/b14-5+.
What are the key properties of (E)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 281.11 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 5341189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).