3-(2,6-difluorophenyl)-1,5-dimethyl-1,2,4-triazole

C10H9F2N3 — CID 23544396

IUPAC3-(2,6-difluorophenyl)-1,5-dimethyl-1,2,4-triazole
SMILESCc1nc(-c2c(F)cccc2F)nn1C
InChIInChI=1S/C10H9F2N3/c1-6-13-10(14-15(6)2)9-7(11)4-3-5-8(9)12/h3-5H,1-2H3
InChIKeySQEMQZQCQSMTJQ-UHFFFAOYSA-N
MW209.20 g/mol
LogP2.07
Rot. Bonds1

About 3-(2,6-difluorophenyl)-1,5-dimethyl-1,2,4-triazole

3-(2,6-difluorophenyl)-1,5-dimethyl-1,2,4-triazole (PubChem CID 23544396) has the molecular formula C10H9F2N3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-1,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-1,5-dimethyl-1,2,4-triazole
PubChem CID23544396
Molecular FormulaC10H9F2N3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name3-(2,6-difluorophenyl)-1,5-dimethyl-1,2,4-triazole
SMILESCc1nc(-c2c(F)cccc2F)nn1C
InChIInChI=1S/C10H9F2N3/c1-6-13-10(14-15(6)2)9-7(11)4-3-5-8(9)12/h3-5H,1-2H3
InChIKeySQEMQZQCQSMTJQ-UHFFFAOYSA-N
XLogP2.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-1,5-dimethyl-1,2,4-triazole?
The IUPAC name of 3-(2,6-difluorophenyl)-1,5-dimethyl-1,2,4-triazole (CID 23544396) is 3-(2,6-difluorophenyl)-1,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 3-(2,6-difluorophenyl)-1,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 3-(2,6-difluorophenyl)-1,5-dimethyl-1,2,4-triazole is Cc1nc(-c2c(F)cccc2F)nn1C.
What is the InChIKey of 3-(2,6-difluorophenyl)-1,5-dimethyl-1,2,4-triazole?
The InChIKey is SQEMQZQCQSMTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3/c1-6-13-10(14-15(6)2)9-7(11)4-3-5-8(9)12/h3-5H,1-2H3.
What are the key properties of 3-(2,6-difluorophenyl)-1,5-dimethyl-1,2,4-triazole?
3-(2,6-difluorophenyl)-1,5-dimethyl-1,2,4-triazole has a molecular weight of 209.20 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-1,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 23544396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).