4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole

C10H10ClN3O — CID 50983973

IUPAC4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole
SMILESCOc1cc(Cl)c(C)cc1-n1cnnc1
InChIInChI=1S/C10H10ClN3O/c1-7-3-9(14-5-12-13-6-14)10(15-2)4-8(7)11/h3-6H,1-2H3
InChIKeyXBPCZASMMXTKRK-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.24
Rot. Bonds2

About 4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole

4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole (PubChem CID 50983973) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole
PubChem CID50983973
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole
SMILESCOc1cc(Cl)c(C)cc1-n1cnnc1
InChIInChI=1S/C10H10ClN3O/c1-7-3-9(14-5-12-13-6-14)10(15-2)4-8(7)11/h3-6H,1-2H3
InChIKeyXBPCZASMMXTKRK-UHFFFAOYSA-N
XLogP2.24
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
[1-(4-chloro-2-methoxy-5-methylphenyl)aziridin-2-yl]methanamine
CID 117010135
1-chloro-5-methoxy-2,4-dimethylbenzene;ethane
CID 144758840
3-chloro-4-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyl-1,2,4-triazole
CID 63384620
1-(4-chloro-2-methoxy-5-methylphenyl)piperidin-4-one
CID 24692834
2-(4-chloro-2-methoxy-5-methylphenyl)-1,2-thiazol-3-one
CID 82089400
[1-(4-chloro-2-methoxy-5-methylphenyl)-5-propyltriazol-4-yl]methanol
CID 82197565
1-(4-chloro-2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 82197593
4-(4-chloro-2-methoxy-5-methylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62896157
[1-(4-chloro-2-methoxy-5-methylphenyl)-5-propan-2-yltriazol-4-yl]methanol
CID 82197569
[1-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyltriazol-4-yl]methanamine
CID 82197582
4-chloro-2-methoxy-5-methylaniline;ethane
CID 143790774

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole?
The IUPAC name of 4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole (CID 50983973) is 4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole.
What is the SMILES notation for 4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole?
The canonical SMILES for 4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole is COc1cc(Cl)c(C)cc1-n1cnnc1.
What is the InChIKey of 4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole?
The InChIKey is XBPCZASMMXTKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-7-3-9(14-5-12-13-6-14)10(15-2)4-8(7)11/h3-6H,1-2H3.
What are the key properties of 4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole?
4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole has a molecular weight of 223.66 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole is sourced from PubChem (CID 50983973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).