1-(2,4-difluorophenyl)-5-methyltriazol-4-amine

C9H8F2N4 — CID 79501941

IUPAC1-(2,4-difluorophenyl)-5-methyltriazol-4-amine
SMILESCc1c(N)nnn1-c1ccc(F)cc1F
InChIInChI=1S/C9H8F2N4/c1-5-9(12)13-14-15(5)8-3-2-6(10)4-7(8)11/h2-4H,12H2,1H3
InChIKeyNATYQHDOKZSFMI-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.44
Rot. Bonds1

About 1-(2,4-difluorophenyl)-5-methyltriazol-4-amine

1-(2,4-difluorophenyl)-5-methyltriazol-4-amine (PubChem CID 79501941) has the molecular formula C9H8F2N4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-5-methyltriazol-4-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-5-methyltriazol-4-amine
PubChem CID79501941
Molecular FormulaC9H8F2N4
Molecular Weight210.19 g/mol
Exact Mass210.07
IUPAC Name1-(2,4-difluorophenyl)-5-methyltriazol-4-amine
SMILESCc1c(N)nnn1-c1ccc(F)cc1F
InChIInChI=1S/C9H8F2N4/c1-5-9(12)13-14-15(5)8-3-2-6(10)4-7(8)11/h2-4H,12H2,1H3
InChIKeyNATYQHDOKZSFMI-UHFFFAOYSA-N
XLogP1.44
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-difluorophenyl)-5-methyltriazol-4-amine 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 1-(2,4-difluorophenyl)-5-methyltriazol-4-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-5-methyltriazol-4-amine (CID 79501941) is 1-(2,4-difluorophenyl)-5-methyltriazol-4-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-5-methyltriazol-4-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-5-methyltriazol-4-amine is Cc1c(N)nnn1-c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-5-methyltriazol-4-amine?
The InChIKey is NATYQHDOKZSFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4/c1-5-9(12)13-14-15(5)8-3-2-6(10)4-7(8)11/h2-4H,12H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-5-methyltriazol-4-amine?
1-(2,4-difluorophenyl)-5-methyltriazol-4-amine has a molecular weight of 210.19 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-5-methyltriazol-4-amine is sourced from PubChem (CID 79501941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).