3-N-(4-fluorophenyl)-1H-1,2,4-triazole-3,5-diamine

C8H8FN5 — CID 66490179

IUPAC3-N-(4-fluorophenyl)-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(Nc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C8H8FN5/c9-5-1-3-6(4-2-5)11-8-12-7(10)13-14-8/h1-4H,(H4,10,11,12,13,14)
InChIKeyWLFOLHRSQDQXED-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.27
Rot. Bonds2

About 3-N-(4-fluorophenyl)-1H-1,2,4-triazole-3,5-diamine

3-N-(4-fluorophenyl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 66490179) has the molecular formula C8H8FN5 and a molecular weight of 193.19 g/mol. Its IUPAC name is 3-N-(4-fluorophenyl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(4-fluorophenyl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID66490179
Molecular FormulaC8H8FN5
Molecular Weight193.19 g/mol
Exact Mass193.08
IUPAC Name3-N-(4-fluorophenyl)-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(Nc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C8H8FN5/c9-5-1-3-6(4-2-5)11-8-12-7(10)13-14-8/h1-4H,(H4,10,11,12,13,14)
InChIKeyWLFOLHRSQDQXED-UHFFFAOYSA-N
XLogP1.27
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(4-fluorophenyl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(4-fluorophenyl)-1H-1,2,4-triazole-3,5-diamine (CID 66490179) is 3-N-(4-fluorophenyl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(4-fluorophenyl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(4-fluorophenyl)-1H-1,2,4-triazole-3,5-diamine is Nc1nc(Nc2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-N-(4-fluorophenyl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is WLFOLHRSQDQXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5/c9-5-1-3-6(4-2-5)11-8-12-7(10)13-14-8/h1-4H,(H4,10,11,12,13,14).
What are the key properties of 3-N-(4-fluorophenyl)-1H-1,2,4-triazole-3,5-diamine?
3-N-(4-fluorophenyl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 193.19 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-fluorophenyl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 66490179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).