N-(2-fluorophenyl)-2H-triazol-4-amine

C8H7FN4 — CID 175906997

IUPACN-(2-fluorophenyl)-2H-triazol-4-amine
SMILESFc1ccccc1Nc1cn[nH]n1
InChIInChI=1S/C8H7FN4/c9-6-3-1-2-4-7(6)11-8-5-10-13-12-8/h1-5H,(H2,10,11,12,13)
InChIKeyUFQLBLCWWRKUIA-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.69
Rot. Bonds2

About N-(2-fluorophenyl)-2H-triazol-4-amine

N-(2-fluorophenyl)-2H-triazol-4-amine (PubChem CID 175906997) has the molecular formula C8H7FN4 and a molecular weight of 178.17 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2H-triazol-4-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2H-triazol-4-amine
PubChem CID175906997
Molecular FormulaC8H7FN4
Molecular Weight178.17 g/mol
Exact Mass178.07
IUPAC NameN-(2-fluorophenyl)-2H-triazol-4-amine
SMILESFc1ccccc1Nc1cn[nH]n1
InChIInChI=1S/C8H7FN4/c9-6-3-1-2-4-7(6)11-8-5-10-13-12-8/h1-5H,(H2,10,11,12,13)
InChIKeyUFQLBLCWWRKUIA-UHFFFAOYSA-N
XLogP1.69
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-1H-1,2,3-triazol-5-amine
CID 75202656
N-(4-fluoro-2-methylphenyl)-2H-triazol-4-amine
CID 75203053
N-[2-(azepan-1-yl)ethyl]-1-(3-fluorophenyl)triazol-4-amine
CID 76683877
N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-1-(3-fluorophenyl)triazol-4-amine
CID 76683988
1-(3,4-difluorophenyl)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine
CID 76684206
1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684214
1-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684294
1-(3,4-difluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684296
1-(2,4-difluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684481
1-Phenyl-1H-1,2,3-triazol-5-amine
CID 12760724
1-phenyl-1H-1,2,3-triazol-4-amine
CID 22042185
N-(2-ethylphenyl)-2H-triazol-4-amine
CID 127042503

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2H-triazol-4-amine?
The IUPAC name of N-(2-fluorophenyl)-2H-triazol-4-amine (CID 175906997) is N-(2-fluorophenyl)-2H-triazol-4-amine.
What is the SMILES notation for N-(2-fluorophenyl)-2H-triazol-4-amine?
The canonical SMILES for N-(2-fluorophenyl)-2H-triazol-4-amine is Fc1ccccc1Nc1cn[nH]n1.
What is the InChIKey of N-(2-fluorophenyl)-2H-triazol-4-amine?
The InChIKey is UFQLBLCWWRKUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4/c9-6-3-1-2-4-7(6)11-8-5-10-13-12-8/h1-5H,(H2,10,11,12,13).
What are the key properties of N-(2-fluorophenyl)-2H-triazol-4-amine?
N-(2-fluorophenyl)-2H-triazol-4-amine has a molecular weight of 178.17 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2H-triazol-4-amine is sourced from PubChem (CID 175906997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).