4-(3,4-dichlorophenyl)-1,2,4-triazole

C8H5Cl2N3 — CID 12888423

IUPAC4-(3,4-dichlorophenyl)-1,2,4-triazole
SMILESClc1ccc(-n2cnnc2)cc1Cl
InChIInChI=1S/C8H5Cl2N3/c9-7-2-1-6(3-8(7)10)13-4-11-12-5-13/h1-5H
InChIKeyJTBRBCBHRQJOKA-UHFFFAOYSA-N
MW214.06 g/mol
LogP2.57
Rot. Bonds1

About 4-(3,4-dichlorophenyl)-1,2,4-triazole

4-(3,4-dichlorophenyl)-1,2,4-triazole (PubChem CID 12888423) has the molecular formula C8H5Cl2N3 and a molecular weight of 214.06 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-1,2,4-triazole
PubChem CID12888423
Molecular FormulaC8H5Cl2N3
Molecular Weight214.06 g/mol
Exact Mass212.99
IUPAC Name4-(3,4-dichlorophenyl)-1,2,4-triazole
SMILESClc1ccc(-n2cnnc2)cc1Cl
InChIInChI=1S/C8H5Cl2N3/c9-7-2-1-6(3-8(7)10)13-4-11-12-5-13/h1-5H
InChIKeyJTBRBCBHRQJOKA-UHFFFAOYSA-N
XLogP2.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-1,2,4-triazole?
The IUPAC name of 4-(3,4-dichlorophenyl)-1,2,4-triazole (CID 12888423) is 4-(3,4-dichlorophenyl)-1,2,4-triazole.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-1,2,4-triazole?
The canonical SMILES for 4-(3,4-dichlorophenyl)-1,2,4-triazole is Clc1ccc(-n2cnnc2)cc1Cl.
What is the InChIKey of 4-(3,4-dichlorophenyl)-1,2,4-triazole?
The InChIKey is JTBRBCBHRQJOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N3/c9-7-2-1-6(3-8(7)10)13-4-11-12-5-13/h1-5H.
What are the key properties of 4-(3,4-dichlorophenyl)-1,2,4-triazole?
4-(3,4-dichlorophenyl)-1,2,4-triazole has a molecular weight of 214.06 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-1,2,4-triazole is sourced from PubChem (CID 12888423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).