[2-fluoro-5-(triazol-1-yl)phenyl]methanamine

C9H9FN4 — CID 84663836

IUPAC[2-fluoro-5-(triazol-1-yl)phenyl]methanamine
SMILESNCc1cc(-n2ccnn2)ccc1F
InChIInChI=1S/C9H9FN4/c10-9-2-1-8(5-7(9)6-11)14-4-3-12-13-14/h1-5H,6,11H2
InChIKeyMCAXODJYGXOMCG-UHFFFAOYSA-N
MW192.20 g/mol
LogP0.87
Rot. Bonds2

About [2-fluoro-5-(triazol-1-yl)phenyl]methanamine

[2-fluoro-5-(triazol-1-yl)phenyl]methanamine (PubChem CID 84663836) has the molecular formula C9H9FN4 and a molecular weight of 192.20 g/mol. Its IUPAC name is [2-fluoro-5-(triazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-5-(triazol-1-yl)phenyl]methanamine
PubChem CID84663836
Molecular FormulaC9H9FN4
Molecular Weight192.20 g/mol
Exact Mass192.08
IUPAC Name[2-fluoro-5-(triazol-1-yl)phenyl]methanamine
SMILESNCc1cc(-n2ccnn2)ccc1F
InChIInChI=1S/C9H9FN4/c10-9-2-1-8(5-7(9)6-11)14-4-3-12-13-14/h1-5H,6,11H2
InChIKeyMCAXODJYGXOMCG-UHFFFAOYSA-N
XLogP0.87
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-fluoro-4-(triazol-1-yl)phenyl]methanamine;hydrochloride
CID 68520918
1-[3-(3-chloropropyl)-4-fluorophenyl]triazole
CID 174934410
2-ethyl-5-(triazol-1-yl)aniline
CID 174620825
1-(3-fluoro-4-pyrazol-1-ylphenyl)triazole
CID 58758348
2-methyl-4-(triazol-1-yl)aniline
CID 82512131
[5-(2-azaspiro[3.6]decan-2-yl)-2-fluorophenyl]methanamine
CID 79687951
1-(2,5-difluorophenyl)triazole
CID 169324324
2-fluoro-5-(triazol-1-yl)pyridine
CID 58128556
4-[2-fluoro-4-(triazol-1-yl)phenyl]thiomorpholine;propane
CID 91063132
1-(3-chloro-4-methylphenyl)triazole
CID 144674616
6-[3-(aminomethyl)-4-fluorophenyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 62316965
[2-fluoro-5-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine
CID 107878722

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(triazol-1-yl)phenyl]methanamine?
The IUPAC name of [2-fluoro-5-(triazol-1-yl)phenyl]methanamine (CID 84663836) is [2-fluoro-5-(triazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-5-(triazol-1-yl)phenyl]methanamine?
The canonical SMILES for [2-fluoro-5-(triazol-1-yl)phenyl]methanamine is NCc1cc(-n2ccnn2)ccc1F.
What is the InChIKey of [2-fluoro-5-(triazol-1-yl)phenyl]methanamine?
The InChIKey is MCAXODJYGXOMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4/c10-9-2-1-8(5-7(9)6-11)14-4-3-12-13-14/h1-5H,6,11H2.
What are the key properties of [2-fluoro-5-(triazol-1-yl)phenyl]methanamine?
[2-fluoro-5-(triazol-1-yl)phenyl]methanamine has a molecular weight of 192.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-(triazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 84663836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).