N-(3-fluorophenyl)-2H-triazol-4-amine

C8H7FN4 — CID 75203176

IUPACN-(3-fluorophenyl)-2H-triazol-4-amine
SMILESFc1cccc(Nc2cn[nH]n2)c1
InChIInChI=1S/C8H7FN4/c9-6-2-1-3-7(4-6)11-8-5-10-13-12-8/h1-5H,(H2,10,11,12,13)
InChIKeyQCYKSGUYCREBBB-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.69
Rot. Bonds2

About N-(3-fluorophenyl)-2H-triazol-4-amine

N-(3-fluorophenyl)-2H-triazol-4-amine (PubChem CID 75203176) has the molecular formula C8H7FN4 and a molecular weight of 178.17 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2H-triazol-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2H-triazol-4-amine
PubChem CID75203176
Molecular FormulaC8H7FN4
Molecular Weight178.17 g/mol
Exact Mass178.07
IUPAC NameN-(3-fluorophenyl)-2H-triazol-4-amine
SMILESFc1cccc(Nc2cn[nH]n2)c1
InChIInChI=1S/C8H7FN4/c9-6-2-1-3-7(4-6)11-8-5-10-13-12-8/h1-5H,(H2,10,11,12,13)
InChIKeyQCYKSGUYCREBBB-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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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2H-triazol-4-amine?
The IUPAC name of N-(3-fluorophenyl)-2H-triazol-4-amine (CID 75203176) is N-(3-fluorophenyl)-2H-triazol-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-2H-triazol-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-2H-triazol-4-amine is Fc1cccc(Nc2cn[nH]n2)c1.
What is the InChIKey of N-(3-fluorophenyl)-2H-triazol-4-amine?
The InChIKey is QCYKSGUYCREBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4/c9-6-2-1-3-7(4-6)11-8-5-10-13-12-8/h1-5H,(H2,10,11,12,13).
What are the key properties of N-(3-fluorophenyl)-2H-triazol-4-amine?
N-(3-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-(3-fluorophenyl)-2H-triazol-4-amine is sourced from PubChem (CID 75203176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).