1-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole

C9H7F2N3 — CID 57011822

IUPAC1-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole
SMILESCc1ncnn1-c1ccc(F)cc1F
InChIInChI=1S/C9H7F2N3/c1-6-12-5-13-14(6)9-3-2-7(10)4-8(9)11/h2-5H,1H3
InChIKeyWRLIMCMOYYQTOJ-UHFFFAOYSA-N
MW195.17 g/mol
LogP1.85
Rot. Bonds1

About 1-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole

1-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole (PubChem CID 57011822) has the molecular formula C9H7F2N3 and a molecular weight of 195.17 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole
PubChem CID57011822
Molecular FormulaC9H7F2N3
Molecular Weight195.17 g/mol
Exact Mass195.06
IUPAC Name1-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole
SMILESCc1ncnn1-c1ccc(F)cc1F
InChIInChI=1S/C9H7F2N3/c1-6-12-5-13-14(6)9-3-2-7(10)4-8(9)11/h2-5H,1H3
InChIKeyWRLIMCMOYYQTOJ-UHFFFAOYSA-N
XLogP1.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 51.85
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)-5-methyl-1,2,4-triazole?
The IUPAC name of 1-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole (CID 57011822) is 1-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole.
What is the SMILES notation for 1-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole?
The canonical SMILES for 1-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole is Cc1ncnn1-c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole?
The InChIKey is WRLIMCMOYYQTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3/c1-6-12-5-13-14(6)9-3-2-7(10)4-8(9)11/h2-5H,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole?
1-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole has a molecular weight of 195.17 g/mol, XLogP of 1.85, 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)-5-methyl-1,2,4-triazole is sourced from PubChem (CID 57011822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).