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

C9H7BrN4 — CID 690735

IUPAC1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESBrc1ccc(C=Nn2cnnc2)cc1
InChIInChI=1S/C9H7BrN4/c10-9-3-1-8(2-4-9)5-13-14-6-11-12-7-14/h1-7H
InChIKeyDNEVVDSOWJXLAW-UHFFFAOYSA-N
MW251.09 g/mol
LogP1.92
Rot. Bonds2

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

1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 690735) has the molecular formula C9H7BrN4 and a molecular weight of 251.09 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID690735
Molecular FormulaC9H7BrN4
Molecular Weight251.09 g/mol
Exact Mass249.99
IUPAC Name1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESBrc1ccc(C=Nn2cnnc2)cc1
InChIInChI=1S/C9H7BrN4/c10-9-3-1-8(2-4-9)5-13-14-6-11-12-7-14/h1-7H
InChIKeyDNEVVDSOWJXLAW-UHFFFAOYSA-N
XLogP1.92
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.09
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[4-[(4-bromophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 110339660
(Z)-1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)methanimine
CID 5404547
(Z)-1-(4-phenylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 5425371
1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 759377
(Z)-1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 5403379
(Z)-1-[4-[(3R)-3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 98049208
(E)-1-(4-pyrrolidin-1-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 6859857
(E)-1-[1-(4-bromophenyl)pyrrol-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6858852
(E)-1-[4-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6858839
(Z)-1-[4-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 5415389
(E)-1-(4-thiophen-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 176515678
(E)-1-[4-(1-methoxyethenyl)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 172920566

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of 1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine (CID 690735) is 1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for 1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine is Brc1ccc(C=Nn2cnnc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is DNEVVDSOWJXLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4/c10-9-3-1-8(2-4-9)5-13-14-6-11-12-7-14/h1-7H.
What are the key properties of 1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine?
1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 251.09 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 690735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).