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

C10H9BrN4O — CID 5402322

IUPAC(Z)-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-RZNTYIFUSA-N
MW281.11 g/mol
LogP1.93
Rot. Bonds3

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

(Z)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 5402322) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is (Z)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID5402322
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC Name(Z)-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-RZNTYIFUSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (Z)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine (CID 5402322) is (Z)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (Z)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (Z)-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 (Z)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is LZNJLSIVOGQRTR-RZNTYIFUSA-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 (Z)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
(Z)-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 (Z)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 5402322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).