3-chloro-4-(4-chloro-2,5-dimethoxyphenyl)-1,2,4-triazole

C10H9Cl2N3O2 — CID 63384718

IUPAC3-chloro-4-(4-chloro-2,5-dimethoxyphenyl)-1,2,4-triazole
SMILESCOc1cc(-n2cnnc2Cl)c(OC)cc1Cl
InChIInChI=1S/C10H9Cl2N3O2/c1-16-8-4-7(9(17-2)3-6(8)11)15-5-13-14-10(15)12/h3-5H,1-2H3
InChIKeyHCFBIOQCFNTFSH-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.59
Rot. Bonds3

About 3-chloro-4-(4-chloro-2,5-dimethoxyphenyl)-1,2,4-triazole

3-chloro-4-(4-chloro-2,5-dimethoxyphenyl)-1,2,4-triazole (PubChem CID 63384718) has the molecular formula C10H9Cl2N3O2 and a molecular weight of 274.11 g/mol. Its IUPAC name is 3-chloro-4-(4-chloro-2,5-dimethoxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-(4-chloro-2,5-dimethoxyphenyl)-1,2,4-triazole
PubChem CID63384718
Molecular FormulaC10H9Cl2N3O2
Molecular Weight274.11 g/mol
Exact Mass273.01
IUPAC Name3-chloro-4-(4-chloro-2,5-dimethoxyphenyl)-1,2,4-triazole
SMILESCOc1cc(-n2cnnc2Cl)c(OC)cc1Cl
InChIInChI=1S/C10H9Cl2N3O2/c1-16-8-4-7(9(17-2)3-6(8)11)15-5-13-14-10(15)12/h3-5H,1-2H3
InChIKeyHCFBIOQCFNTFSH-UHFFFAOYSA-N
XLogP2.59
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloro-2,5-dimethoxyphenyl)imidazole-4-carbaldehyde
CID 66148246
5-(azetidin-3-yl)-1-(4-chloro-2,5-dimethoxyphenyl)imidazole
CID 114716743
2-[3-(4-chloro-2,5-dimethoxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114707996
1-(4-chloro-2,5-dimethoxyphenyl)azetidin-3-amine
CID 117002859
1-(4-chloro-2,5-dimethoxyphenyl)-N-methylazetidin-3-amine
CID 117002959
4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole
CID 50983973
1-(4-chloro-2,5-dimethoxyphenyl)-3-methylpyrazole-4-carbaldehyde
CID 84617560
3-(chloromethyl)-4-(2,4-dibromo-5-methoxyphenyl)-1,2,4-triazole
CID 103417220
4-bromo-1-(4-chloro-2,5-dimethoxyphenyl)pyrrole-2-carboxylic acid
CID 114603939
2-[3-(4-chloro-2,5-dimethoxyphenyl)triazol-4-yl]ethanamine
CID 82197289
1-(4-chloro-2,5-dimethoxyphenyl)-5-methyltriazole-4-carboxylic acid
CID 82200947
2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]ethanamine
CID 82227998

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-chloro-2,5-dimethoxyphenyl)-1,2,4-triazole?
The IUPAC name of 3-chloro-4-(4-chloro-2,5-dimethoxyphenyl)-1,2,4-triazole (CID 63384718) is 3-chloro-4-(4-chloro-2,5-dimethoxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-(4-chloro-2,5-dimethoxyphenyl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-(4-chloro-2,5-dimethoxyphenyl)-1,2,4-triazole is COc1cc(-n2cnnc2Cl)c(OC)cc1Cl.
What is the InChIKey of 3-chloro-4-(4-chloro-2,5-dimethoxyphenyl)-1,2,4-triazole?
The InChIKey is HCFBIOQCFNTFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O2/c1-16-8-4-7(9(17-2)3-6(8)11)15-5-13-14-10(15)12/h3-5H,1-2H3.
What are the key properties of 3-chloro-4-(4-chloro-2,5-dimethoxyphenyl)-1,2,4-triazole?
3-chloro-4-(4-chloro-2,5-dimethoxyphenyl)-1,2,4-triazole has a molecular weight of 274.11 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-chloro-2,5-dimethoxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 63384718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).