3-[5-(2-fluorophenyl)triazol-1-yl]propan-1-amine

C11H13FN4 — CID 115031941

IUPAC3-[5-(2-fluorophenyl)triazol-1-yl]propan-1-amine
SMILESNCCCn1nncc1-c1ccccc1F
InChIInChI=1S/C11H13FN4/c12-10-5-2-1-4-9(10)11-8-14-15-16(11)7-3-6-13/h1-2,4-5,8H,3,6-7,13H2
InChIKeySDBOJUQQNSJRHD-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.43
Rot. Bonds4

About 3-[5-(2-fluorophenyl)triazol-1-yl]propan-1-amine

3-[5-(2-fluorophenyl)triazol-1-yl]propan-1-amine (PubChem CID 115031941) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)triazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)triazol-1-yl]propan-1-amine
PubChem CID115031941
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name3-[5-(2-fluorophenyl)triazol-1-yl]propan-1-amine
SMILESNCCCn1nncc1-c1ccccc1F
InChIInChI=1S/C11H13FN4/c12-10-5-2-1-4-9(10)11-8-14-15-16(11)7-3-6-13/h1-2,4-5,8H,3,6-7,13H2
InChIKeySDBOJUQQNSJRHD-UHFFFAOYSA-N
XLogP1.43
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-(2-fluorophenyl)triazol-1-yl]propan-1-amine 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

3-[5-(3,4-difluorophenyl)triazol-1-yl]propan-1-amine
CID 82222589
3-[5-(2,4-dimethylphenyl)triazol-1-yl]propan-1-amine
CID 82222159
4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 84758985
disodium bis(5-[5-(2-hydroxyphenyl)triazol-1-yl]pentanoate)
CID 137227826
3-[2-(2-fluorophenyl)imidazol-1-yl]propan-1-amine
CID 82559058
3-[2-(2-fluorophenyl)phenyl]propan-1-amine
CID 170878786
[1-butyl-5-(2-fluorophenyl)triazol-4-yl]methanamine
CID 82205505
2-[4-bromo-5-(2-fluorophenyl)pyrazol-1-yl]ethanamine
CID 84812788
3-[5-(2-fluoro-3-methylphenyl)tetrazol-1-yl]propan-1-amine
CID 107111665
3-[4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]propan-1-amine
CID 115055377
2-[1-ethyl-5-(2-fluorophenyl)pyrazol-3-yl]ethanamine
CID 105492850
2-[5-(2-fluorophenyl)pyrazol-1-yl]ethanol
CID 91409048

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)triazol-1-yl]propan-1-amine?
The IUPAC name of 3-[5-(2-fluorophenyl)triazol-1-yl]propan-1-amine (CID 115031941) is 3-[5-(2-fluorophenyl)triazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2-fluorophenyl)triazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2-fluorophenyl)triazol-1-yl]propan-1-amine is NCCCn1nncc1-c1ccccc1F.
What is the InChIKey of 3-[5-(2-fluorophenyl)triazol-1-yl]propan-1-amine?
The InChIKey is SDBOJUQQNSJRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c12-10-5-2-1-4-9(10)11-8-14-15-16(11)7-3-6-13/h1-2,4-5,8H,3,6-7,13H2.
What are the key properties of 3-[5-(2-fluorophenyl)triazol-1-yl]propan-1-amine?
3-[5-(2-fluorophenyl)triazol-1-yl]propan-1-amine has a molecular weight of 220.25 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)triazol-1-yl]propan-1-amine is sourced from PubChem (CID 115031941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).