[3-(2-fluoro-4-methylphenyl)triazol-4-yl]methanamine

C10H11FN4 — CID 82507073

IUPAC[3-(2-fluoro-4-methylphenyl)triazol-4-yl]methanamine
SMILESCc1ccc(-n2nncc2CN)c(F)c1
InChIInChI=1S/C10H11FN4/c1-7-2-3-10(9(11)4-7)15-8(5-12)6-13-14-15/h2-4,6H,5,12H2,1H3
InChIKeyUGTNHQPHVGHGPT-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.17
Rot. Bonds2

About [3-(2-fluoro-4-methylphenyl)triazol-4-yl]methanamine

[3-(2-fluoro-4-methylphenyl)triazol-4-yl]methanamine (PubChem CID 82507073) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is [3-(2-fluoro-4-methylphenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2-fluoro-4-methylphenyl)triazol-4-yl]methanamine
PubChem CID82507073
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name[3-(2-fluoro-4-methylphenyl)triazol-4-yl]methanamine
SMILESCc1ccc(-n2nncc2CN)c(F)c1
InChIInChI=1S/C10H11FN4/c1-7-2-3-10(9(11)4-7)15-8(5-12)6-13-14-15/h2-4,6H,5,12H2,1H3
InChIKeyUGTNHQPHVGHGPT-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 [3-(2-fluoro-4-methylphenyl)triazol-4-yl]methanamine?
The IUPAC name of [3-(2-fluoro-4-methylphenyl)triazol-4-yl]methanamine (CID 82507073) is [3-(2-fluoro-4-methylphenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [3-(2-fluoro-4-methylphenyl)triazol-4-yl]methanamine?
The canonical SMILES for [3-(2-fluoro-4-methylphenyl)triazol-4-yl]methanamine is Cc1ccc(-n2nncc2CN)c(F)c1.
What is the InChIKey of [3-(2-fluoro-4-methylphenyl)triazol-4-yl]methanamine?
The InChIKey is UGTNHQPHVGHGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-7-2-3-10(9(11)4-7)15-8(5-12)6-13-14-15/h2-4,6H,5,12H2,1H3.
What are the key properties of [3-(2-fluoro-4-methylphenyl)triazol-4-yl]methanamine?
[3-(2-fluoro-4-methylphenyl)triazol-4-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 [3-(2-fluoro-4-methylphenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82507073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).