[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine

C10H11FN4 — CID 82470262

IUPAC[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCc1nc(CN)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C10H11FN4/c1-7-13-10(6-12)15(14-7)9-4-2-8(11)3-5-9/h2-5H,6,12H2,1H3
InChIKeyGCZROMFPXVSPRG-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.17
Rot. Bonds2

About [2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine

[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 82470262) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine
PubChem CID82470262
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCc1nc(CN)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C10H11FN4/c1-7-13-10(6-12)15(14-7)9-4-2-8(11)3-5-9/h2-5H,6,12H2,1H3
InChIKeyGCZROMFPXVSPRG-UHFFFAOYSA-N
XLogP1.17
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine (CID 82470262) is [2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine is Cc1nc(CN)n(-c2ccc(F)cc2)n1.
What is the InChIKey of [2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is GCZROMFPXVSPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-7-13-10(6-12)15(14-7)9-4-2-8(11)3-5-9/h2-5H,6,12H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine?
[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 206.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 82470262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).