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

C12H13Cl2N3O — CID 63384620

IUPAC3-chloro-4-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyl-1,2,4-triazole
SMILESCCc1nnc(Cl)n1-c1cc(C)c(Cl)cc1OC
InChIInChI=1S/C12H13Cl2N3O/c1-4-11-15-16-12(14)17(11)9-5-7(2)8(13)6-10(9)18-3/h5-6H,4H2,1-3H3
InChIKeyJJSGEPKECHAMQG-UHFFFAOYSA-N
MW286.16 g/mol
LogP3.45
Rot. Bonds3

About 3-chloro-4-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyl-1,2,4-triazole

3-chloro-4-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyl-1,2,4-triazole (PubChem CID 63384620) has the molecular formula C12H13Cl2N3O and a molecular weight of 286.16 g/mol. Its IUPAC name is 3-chloro-4-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyl-1,2,4-triazole
PubChem CID63384620
Molecular FormulaC12H13Cl2N3O
Molecular Weight286.16 g/mol
Exact Mass285.04
IUPAC Name3-chloro-4-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyl-1,2,4-triazole
SMILESCCc1nnc(Cl)n1-c1cc(C)c(Cl)cc1OC
InChIInChI=1S/C12H13Cl2N3O/c1-4-11-15-16-12(14)17(11)9-5-7(2)8(13)6-10(9)18-3/h5-6H,4H2,1-3H3
InChIKeyJJSGEPKECHAMQG-UHFFFAOYSA-N
XLogP3.45
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-ethyl-4-(4-methoxy-3-methylphenyl)-1,2,4-triazole
CID 63385701
[1-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyltriazol-4-yl]methanamine
CID 82197582
4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole
CID 50983973
3-chloro-4-(2,3-dimethylphenyl)-5-ethyl-1,2,4-triazole
CID 63384946
N-[[1-(4-chloro-2-methoxy-5-methylphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736292
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-propyltriazol-4-yl]methanol
CID 82197565
3-(chloromethyl)-4-(2,5-dimethoxyphenyl)-5-ethyl-1,2,4-triazole
CID 83968202
N-[1-[1-(4-chloro-2-methoxy-5-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085140
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
3-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-1H-benzimidazole-2-thione
CID 115551641
[1-(4-chloro-2-methoxy-5-methylphenyl)-5-propan-2-yltriazol-4-yl]methanol
CID 82197569

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyl-1,2,4-triazole?
The IUPAC name of 3-chloro-4-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyl-1,2,4-triazole (CID 63384620) is 3-chloro-4-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyl-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyl-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyl-1,2,4-triazole is CCc1nnc(Cl)n1-c1cc(C)c(Cl)cc1OC.
What is the InChIKey of 3-chloro-4-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyl-1,2,4-triazole?
The InChIKey is JJSGEPKECHAMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O/c1-4-11-15-16-12(14)17(11)9-5-7(2)8(13)6-10(9)18-3/h5-6H,4H2,1-3H3.
What are the key properties of 3-chloro-4-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyl-1,2,4-triazole?
3-chloro-4-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyl-1,2,4-triazole has a molecular weight of 286.16 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyl-1,2,4-triazole is sourced from PubChem (CID 63384620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).