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

C10H10ClN3O2 — CID 63383430

IUPAC3-chloro-4-(3,5-dimethoxyphenyl)-1,2,4-triazole
SMILESCOc1cc(OC)cc(-n2cnnc2Cl)c1
InChIInChI=1S/C10H10ClN3O2/c1-15-8-3-7(4-9(5-8)16-2)14-6-12-13-10(14)11/h3-6H,1-2H3
InChIKeyFJASESHALSASEU-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.94
Rot. Bonds3

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

3-chloro-4-(3,5-dimethoxyphenyl)-1,2,4-triazole (PubChem CID 63383430) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 3-chloro-4-(3,5-dimethoxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-(3,5-dimethoxyphenyl)-1,2,4-triazole
PubChem CID63383430
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name3-chloro-4-(3,5-dimethoxyphenyl)-1,2,4-triazole
SMILESCOc1cc(OC)cc(-n2cnnc2Cl)c1
InChIInChI=1S/C10H10ClN3O2/c1-15-8-3-7(4-9(5-8)16-2)14-6-12-13-10(14)11/h3-6H,1-2H3
InChIKeyFJASESHALSASEU-UHFFFAOYSA-N
XLogP1.94
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3,5-dimethoxyphenyl)-1,2,4-triazole?
The IUPAC name of 3-chloro-4-(3,5-dimethoxyphenyl)-1,2,4-triazole (CID 63383430) is 3-chloro-4-(3,5-dimethoxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-(3,5-dimethoxyphenyl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-(3,5-dimethoxyphenyl)-1,2,4-triazole is COc1cc(OC)cc(-n2cnnc2Cl)c1.
What is the InChIKey of 3-chloro-4-(3,5-dimethoxyphenyl)-1,2,4-triazole?
The InChIKey is FJASESHALSASEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-15-8-3-7(4-9(5-8)16-2)14-6-12-13-10(14)11/h3-6H,1-2H3.
What are the key properties of 3-chloro-4-(3,5-dimethoxyphenyl)-1,2,4-triazole?
3-chloro-4-(3,5-dimethoxyphenyl)-1,2,4-triazole has a molecular weight of 239.66 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3,5-dimethoxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 63383430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).