1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-amine

C10H11FN4 — CID 79508411

IUPAC1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-amine
SMILESCc1c(F)cccc1-n1nnc(N)c1C
InChIInChI=1S/C10H11FN4/c1-6-8(11)4-3-5-9(6)15-7(2)10(12)13-14-15/h3-5H,12H2,1-2H3
InChIKeyJVBOFKGQIRZOLR-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.61
Rot. Bonds1

About 1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-amine

1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-amine (PubChem CID 79508411) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-amine.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-amine
PubChem CID79508411
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-amine
SMILESCc1c(F)cccc1-n1nnc(N)c1C
InChIInChI=1S/C10H11FN4/c1-6-8(11)4-3-5-9(6)15-7(2)10(12)13-14-15/h3-5H,12H2,1-2H3
InChIKeyJVBOFKGQIRZOLR-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 1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-amine?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-amine (CID 79508411) is 1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-amine.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-amine?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-amine is Cc1c(F)cccc1-n1nnc(N)c1C.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-amine?
The InChIKey is JVBOFKGQIRZOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-6-8(11)4-3-5-9(6)15-7(2)10(12)13-14-15/h3-5H,12H2,1-2H3.
What are the key properties of 1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-amine?
1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-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 1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-amine is sourced from PubChem (CID 79508411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).