[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methanamine

C10H11FN4 — CID 105458542

IUPAC[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methanamine
SMILESCn1nnc(-c2ccccc2F)c1CN
InChIInChI=1S/C10H11FN4/c1-15-9(6-12)10(13-14-15)7-4-2-3-5-8(7)11/h2-5H,6,12H2,1H3
InChIKeyLDUGDPLUZLNGOX-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.08
Rot. Bonds2

About [5-(2-fluorophenyl)-3-methyltriazol-4-yl]methanamine

[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methanamine (PubChem CID 105458542) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-3-methyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methanamine
PubChem CID105458542
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methanamine
SMILESCn1nnc(-c2ccccc2F)c1CN
InChIInChI=1S/C10H11FN4/c1-15-9(6-12)10(13-14-15)7-4-2-3-5-8(7)11/h2-5H,6,12H2,1H3
InChIKeyLDUGDPLUZLNGOX-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(2-fluorophenyl)-3-methyltriazol-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

2-ethyl-5-(2-fluorophenyl)-3-methylimidazol-4-amine
CID 62226219
6-[5-(aminomethyl)-1-methyltriazol-4-yl]-2-(trifluoromethyl)pyridin-3-ol
CID 155007711
[5-(2-fluorophenyl)-2H-triazol-4-yl]methanamine
CID 83484089
[1-butyl-5-(2-fluorophenyl)triazol-4-yl]methanamine
CID 82205505
3-ethyl-5-(2-fluorophenyl)triazole-4-carbaldehyde
CID 105473585
2-[5-(2-fluorophenyl)tetrazol-2-yl]ethanamine;hydrochloride
CID 154856464
[5-(2-fluorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanamine
CID 82208417
(4-fluoro-2-methylindazol-3-yl)methanamine
CID 84718090
[5-ethyl-3-(2-fluorophenyl)triazol-4-yl]methanamine
CID 105475486
4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 84758985
[5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine
CID 82200276
[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]methanamine
CID 82196549

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-3-methyltriazol-4-yl]methanamine?
The IUPAC name of [5-(2-fluorophenyl)-3-methyltriazol-4-yl]methanamine (CID 105458542) is [5-(2-fluorophenyl)-3-methyltriazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-fluorophenyl)-3-methyltriazol-4-yl]methanamine?
The canonical SMILES for [5-(2-fluorophenyl)-3-methyltriazol-4-yl]methanamine is Cn1nnc(-c2ccccc2F)c1CN.
What is the InChIKey of [5-(2-fluorophenyl)-3-methyltriazol-4-yl]methanamine?
The InChIKey is LDUGDPLUZLNGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-15-9(6-12)10(13-14-15)7-4-2-3-5-8(7)11/h2-5H,6,12H2,1H3.
What are the key properties of [5-(2-fluorophenyl)-3-methyltriazol-4-yl]methanamine?
[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methanamine has a molecular weight of 206.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-3-methyltriazol-4-yl]methanamine is sourced from PubChem (CID 105458542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).