3-(1,1-difluoro-2-methylpropyl)-1-methyl-1,2,4-triazole

C7H11F2N3 — CID 140943559

IUPAC3-(1,1-difluoro-2-methylpropyl)-1-methyl-1,2,4-triazole
SMILESCC(C)C(F)(F)c1ncn(C)n1
InChIInChI=1S/C7H11F2N3/c1-5(2)7(8,9)6-10-4-12(3)11-6/h4-5H,1-3H3
InChIKeyAJXUFUZTLVRTBX-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.56
Rot. Bonds2

About 3-(1,1-difluoro-2-methylpropyl)-1-methyl-1,2,4-triazole

3-(1,1-difluoro-2-methylpropyl)-1-methyl-1,2,4-triazole (PubChem CID 140943559) has the molecular formula C7H11F2N3 and a molecular weight of 175.18 g/mol. Its IUPAC name is 3-(1,1-difluoro-2-methylpropyl)-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(1,1-difluoro-2-methylpropyl)-1-methyl-1,2,4-triazole
PubChem CID140943559
Molecular FormulaC7H11F2N3
Molecular Weight175.18 g/mol
Exact Mass175.09
IUPAC Name3-(1,1-difluoro-2-methylpropyl)-1-methyl-1,2,4-triazole
SMILESCC(C)C(F)(F)c1ncn(C)n1
InChIInChI=1S/C7H11F2N3/c1-5(2)7(8,9)6-10-4-12(3)11-6/h4-5H,1-3H3
InChIKeyAJXUFUZTLVRTBX-UHFFFAOYSA-N
XLogP1.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(1,1-difluoro-2-methylpropyl)-1-methyl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoro-2-methylpropyl)-1-methyl-1,2,4-triazole?
The IUPAC name of 3-(1,1-difluoro-2-methylpropyl)-1-methyl-1,2,4-triazole (CID 140943559) is 3-(1,1-difluoro-2-methylpropyl)-1-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(1,1-difluoro-2-methylpropyl)-1-methyl-1,2,4-triazole?
The canonical SMILES for 3-(1,1-difluoro-2-methylpropyl)-1-methyl-1,2,4-triazole is CC(C)C(F)(F)c1ncn(C)n1.
What is the InChIKey of 3-(1,1-difluoro-2-methylpropyl)-1-methyl-1,2,4-triazole?
The InChIKey is AJXUFUZTLVRTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3/c1-5(2)7(8,9)6-10-4-12(3)11-6/h4-5H,1-3H3.
What are the key properties of 3-(1,1-difluoro-2-methylpropyl)-1-methyl-1,2,4-triazole?
3-(1,1-difluoro-2-methylpropyl)-1-methyl-1,2,4-triazole has a molecular weight of 175.18 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoro-2-methylpropyl)-1-methyl-1,2,4-triazole is sourced from PubChem (CID 140943559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).