[5-(2-fluorophenyl)-2H-triazol-4-yl]methanamine

C9H9FN4 — CID 83484089

IUPAC[5-(2-fluorophenyl)-2H-triazol-4-yl]methanamine
SMILESNCc1n[nH]nc1-c1ccccc1F
InChIInChI=1S/C9H9FN4/c10-7-4-2-1-3-6(7)9-8(5-11)12-14-13-9/h1-4H,5,11H2,(H,12,13,14)
InChIKeyWIIIGNHVMXZPMF-UHFFFAOYSA-N
MW192.20 g/mol
LogP1.07
Rot. Bonds2

About [5-(2-fluorophenyl)-2H-triazol-4-yl]methanamine

[5-(2-fluorophenyl)-2H-triazol-4-yl]methanamine (PubChem CID 83484089) has the molecular formula C9H9FN4 and a molecular weight of 192.20 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-2H-triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-2H-triazol-4-yl]methanamine
PubChem CID83484089
Molecular FormulaC9H9FN4
Molecular Weight192.20 g/mol
Exact Mass192.08
IUPAC Name[5-(2-fluorophenyl)-2H-triazol-4-yl]methanamine
SMILESNCc1n[nH]nc1-c1ccccc1F
InChIInChI=1S/C9H9FN4/c10-7-4-2-1-3-6(7)9-8(5-11)12-14-13-9/h1-4H,5,11H2,(H,12,13,14)
InChIKeyWIIIGNHVMXZPMF-UHFFFAOYSA-N
XLogP1.07
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [5-(2-fluorophenyl)-2H-triazol-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(2-chlorophenyl)-2H-triazol-4-yl]methanamine
CID 105462517
4-(aminomethyl)-5-(2-fluorophenyl)-1,3-thiazol-2-amine
CID 133054887
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanamine
CID 62112168
[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methanamine
CID 105458542
5-[4-(2-fluorophenyl)phenyl]-2H-triazole-4-carbonitrile
CID 122479332
[1,5-bis(2-fluorophenyl)triazol-4-yl]methanamine
CID 82196565
[5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine
CID 82200276
2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine;hydrobromide
CID 127046715
[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol
CID 54850882
5-(2-fluorophenyl)-2H-triazolo[4,5-b]pyrazine
CID 152521163
4-(2-fluorophenyl)-5-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 82106645
2-(aminomethyl)-5-(2-fluorophenyl)-1H-pyrimidin-6-one
CID 84684502

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-2H-triazol-4-yl]methanamine?
The IUPAC name of [5-(2-fluorophenyl)-2H-triazol-4-yl]methanamine (CID 83484089) is [5-(2-fluorophenyl)-2H-triazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-fluorophenyl)-2H-triazol-4-yl]methanamine?
The canonical SMILES for [5-(2-fluorophenyl)-2H-triazol-4-yl]methanamine is NCc1n[nH]nc1-c1ccccc1F.
What is the InChIKey of [5-(2-fluorophenyl)-2H-triazol-4-yl]methanamine?
The InChIKey is WIIIGNHVMXZPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4/c10-7-4-2-1-3-6(7)9-8(5-11)12-14-13-9/h1-4H,5,11H2,(H,12,13,14).
What are the key properties of [5-(2-fluorophenyl)-2H-triazol-4-yl]methanamine?
[5-(2-fluorophenyl)-2H-triazol-4-yl]methanamine has a molecular weight of 192.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-2H-triazol-4-yl]methanamine is sourced from PubChem (CID 83484089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).