1-(3-chloro-4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine

C10H9ClN4O — CID 4535842

IUPAC1-(3-chloro-4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCOc1ccc(C=Nn2cnnc2)cc1Cl
InChIInChI=1S/C10H9ClN4O/c1-16-10-3-2-8(4-9(10)11)5-14-15-6-12-13-7-15/h2-7H,1H3
InChIKeyJZGIGXPEVHAQCL-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.82
Rot. Bonds3

About 1-(3-chloro-4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine

1-(3-chloro-4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 4535842) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID4535842
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name1-(3-chloro-4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCOc1ccc(C=Nn2cnnc2)cc1Cl
InChIInChI=1S/C10H9ClN4O/c1-16-10-3-2-8(4-9(10)11)5-14-15-6-12-13-7-15/h2-7H,1H3
InChIKeyJZGIGXPEVHAQCL-UHFFFAOYSA-N
XLogP1.82
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.82
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

(Z)-1-(3-chloro-4-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 6282745
(E)-1-(4-ethoxy-3-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 6858880
1-(4-methoxy-3-nitrophenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 3943394
(Z)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 7698050
1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 759377
(Z)-1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 21381459
methyl 2-[2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetate
CID 5344281
(E)-1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6860105
1-[3-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 4588455
1-[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 1348402
[2-methoxy-4-(1,2,4-triazol-4-yliminomethyl)phenyl] pyridine-4-carboxylate
CID 881723
(Z)-1-(3-bromo-4-propoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 110508643

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine (CID 4535842) is 1-(3-chloro-4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is COc1ccc(C=Nn2cnnc2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is JZGIGXPEVHAQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c1-16-10-3-2-8(4-9(10)11)5-14-15-6-12-13-7-15/h2-7H,1H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
1-(3-chloro-4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 236.66 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 4535842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).