2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-amine

C10H11FN4 — CID 63860344

IUPAC2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-amine
SMILESCc1nc(N)n(-c2ccc(F)cc2C)n1
InChIInChI=1S/C10H11FN4/c1-6-5-8(11)3-4-9(6)15-10(12)13-7(2)14-15/h3-5H,1-2H3,(H2,12,13,14)
InChIKeyXUFJAYZZLUTDBR-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.61
Rot. Bonds1

About 2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-amine

2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-amine (PubChem CID 63860344) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-amine
PubChem CID63860344
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-amine
SMILESCc1nc(N)n(-c2ccc(F)cc2C)n1
InChIInChI=1S/C10H11FN4/c1-6-5-8(11)3-4-9(6)15-10(12)13-7(2)14-15/h3-5H,1-2H3,(H2,12,13,14)
InChIKeyXUFJAYZZLUTDBR-UHFFFAOYSA-N
XLogP1.61
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-amine (CID 63860344) is 2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-amine is Cc1nc(N)n(-c2ccc(F)cc2C)n1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-amine?
The InChIKey is XUFJAYZZLUTDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-6-5-8(11)3-4-9(6)15-10(12)13-7(2)14-15/h3-5H,1-2H3,(H2,12,13,14).
What are the key properties of 2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-amine?
2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-amine has a molecular weight of 206.22 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 63860344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).