3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole

C15H9Cl4N3 — CID 11617680

IUPAC3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole
SMILESCn1c(-c2cccc(Cl)c2Cl)nnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H9Cl4N3/c1-22-14(8-4-2-6-10(16)12(8)18)20-21-15(22)9-5-3-7-11(17)13(9)19/h2-7H,1H3
InChIKeyHNZNQYMAJIIXRK-UHFFFAOYSA-N
MW373.07 g/mol
LogP5.76
Rot. Bonds2

About 3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole

3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole (PubChem CID 11617680) has the molecular formula C15H9Cl4N3 and a molecular weight of 373.07 g/mol. Its IUPAC name is 3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole
PubChem CID11617680
Molecular FormulaC15H9Cl4N3
Molecular Weight373.07 g/mol
Exact Mass370.96
IUPAC Name3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole
SMILESCn1c(-c2cccc(Cl)c2Cl)nnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H9Cl4N3/c1-22-14(8-4-2-6-10(16)12(8)18)20-21-15(22)9-5-3-7-11(17)13(9)19/h2-7H,1H3
InChIKeyHNZNQYMAJIIXRK-UHFFFAOYSA-N
XLogP5.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.07
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole?
The IUPAC name of 3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole (CID 11617680) is 3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole?
The canonical SMILES for 3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole is Cn1c(-c2cccc(Cl)c2Cl)nnc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole?
The InChIKey is HNZNQYMAJIIXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl4N3/c1-22-14(8-4-2-6-10(16)12(8)18)20-21-15(22)9-5-3-7-11(17)13(9)19/h2-7H,1H3.
What are the key properties of 3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole?
3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole has a molecular weight of 373.07 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole is sourced from PubChem (CID 11617680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).