(E)-1-(3,5-dichloro-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine

C10H8Cl2N4O — CID 6939260

IUPAC(E)-1-(3,5-dichloro-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCOc1c(Cl)cc(Cl)cc1/C=N/n1cnnc1
InChIInChI=1S/C10H8Cl2N4O/c1-17-10-7(2-8(11)3-9(10)12)4-15-16-5-13-14-6-16/h2-6H,1H3/b15-4+
InChIKeyMLPFDRVYCKZVEL-SYZQJQIISA-N
MW271.11 g/mol
LogP2.48
Rot. Bonds3

About (E)-1-(3,5-dichloro-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine

(E)-1-(3,5-dichloro-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 6939260) has the molecular formula C10H8Cl2N4O and a molecular weight of 271.11 g/mol. Its IUPAC name is (E)-1-(3,5-dichloro-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(3,5-dichloro-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID6939260
Molecular FormulaC10H8Cl2N4O
Molecular Weight271.11 g/mol
Exact Mass270.01
IUPAC Name(E)-1-(3,5-dichloro-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCOc1c(Cl)cc(Cl)cc1/C=N/n1cnnc1
InChIInChI=1S/C10H8Cl2N4O/c1-17-10-7(2-8(11)3-9(10)12)4-15-16-5-13-14-6-16/h2-6H,1H3/b15-4+
InChIKeyMLPFDRVYCKZVEL-SYZQJQIISA-N
XLogP2.48
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.48
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 (E)-1-(3,5-dichloro-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-(3,5-dichloro-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine (CID 6939260) is (E)-1-(3,5-dichloro-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-(3,5-dichloro-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-(3,5-dichloro-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is COc1c(Cl)cc(Cl)cc1/C=N/n1cnnc1.
What is the InChIKey of (E)-1-(3,5-dichloro-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is MLPFDRVYCKZVEL-SYZQJQIISA-N. The full InChI is InChI=1S/C10H8Cl2N4O/c1-17-10-7(2-8(11)3-9(10)12)4-15-16-5-13-14-6-16/h2-6H,1H3/b15-4+.
What are the key properties of (E)-1-(3,5-dichloro-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-(3,5-dichloro-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 271.11 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,5-dichloro-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 6939260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).