1-(2,4-difluorophenyl)-4,5-dimethyltriazole

C10H9F2N3 — CID 58328333

IUPAC1-(2,4-difluorophenyl)-4,5-dimethyltriazole
SMILESCc1nnn(-c2ccc(F)cc2F)c1C
InChIInChI=1S/C10H9F2N3/c1-6-7(2)15(14-13-6)10-4-3-8(11)5-9(10)12/h3-5H,1-2H3
InChIKeyPXNNRVSQJSNKGL-UHFFFAOYSA-N
MW209.20 g/mol
LogP2.16
Rot. Bonds1

About 1-(2,4-difluorophenyl)-4,5-dimethyltriazole

1-(2,4-difluorophenyl)-4,5-dimethyltriazole (PubChem CID 58328333) has the molecular formula C10H9F2N3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-4,5-dimethyltriazole.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-4,5-dimethyltriazole
PubChem CID58328333
Molecular FormulaC10H9F2N3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name1-(2,4-difluorophenyl)-4,5-dimethyltriazole
SMILESCc1nnn(-c2ccc(F)cc2F)c1C
InChIInChI=1S/C10H9F2N3/c1-6-7(2)15(14-13-6)10-4-3-8(11)5-9(10)12/h3-5H,1-2H3
InChIKeyPXNNRVSQJSNKGL-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-4,5-dimethyltriazole?
The IUPAC name of 1-(2,4-difluorophenyl)-4,5-dimethyltriazole (CID 58328333) is 1-(2,4-difluorophenyl)-4,5-dimethyltriazole.
What is the SMILES notation for 1-(2,4-difluorophenyl)-4,5-dimethyltriazole?
The canonical SMILES for 1-(2,4-difluorophenyl)-4,5-dimethyltriazole is Cc1nnn(-c2ccc(F)cc2F)c1C.
What is the InChIKey of 1-(2,4-difluorophenyl)-4,5-dimethyltriazole?
The InChIKey is PXNNRVSQJSNKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3/c1-6-7(2)15(14-13-6)10-4-3-8(11)5-9(10)12/h3-5H,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-4,5-dimethyltriazole?
1-(2,4-difluorophenyl)-4,5-dimethyltriazole has a molecular weight of 209.20 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-4,5-dimethyltriazole is sourced from PubChem (CID 58328333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).