2-(4-fluorophenyl)triazole-4,5-diamine

C8H8FN5 — CID 23084923

IUPAC2-(4-fluorophenyl)triazole-4,5-diamine
SMILESNc1nn(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C8H8FN5/c9-5-1-3-6(4-2-5)14-12-7(10)8(11)13-14/h1-4H,(H2,10,12)(H2,11,13)
InChIKeyREBJIKKKKADVPJ-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.57
Rot. Bonds1

About 2-(4-fluorophenyl)triazole-4,5-diamine

2-(4-fluorophenyl)triazole-4,5-diamine (PubChem CID 23084923) has the molecular formula C8H8FN5 and a molecular weight of 193.19 g/mol. Its IUPAC name is 2-(4-fluorophenyl)triazole-4,5-diamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)triazole-4,5-diamine
PubChem CID23084923
Molecular FormulaC8H8FN5
Molecular Weight193.19 g/mol
Exact Mass193.08
IUPAC Name2-(4-fluorophenyl)triazole-4,5-diamine
SMILESNc1nn(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C8H8FN5/c9-5-1-3-6(4-2-5)14-12-7(10)8(11)13-14/h1-4H,(H2,10,12)(H2,11,13)
InChIKeyREBJIKKKKADVPJ-UHFFFAOYSA-N
XLogP0.57
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 694527
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CID 694525
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CID 4421759
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CID 694534
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CID 135438452
CID 135438452
CID 135509916
CID 135509916
CID 135520424
CID 135520424
CID 69032028
CID 69032028
CID 10856000
CID 10856000
CID 137971716
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CID 138039681
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CID 12686668
CID 12686668

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)triazole-4,5-diamine?
The IUPAC name of 2-(4-fluorophenyl)triazole-4,5-diamine (CID 23084923) is 2-(4-fluorophenyl)triazole-4,5-diamine.
What is the SMILES notation for 2-(4-fluorophenyl)triazole-4,5-diamine?
The canonical SMILES for 2-(4-fluorophenyl)triazole-4,5-diamine is Nc1nn(-c2ccc(F)cc2)nc1N.
What is the InChIKey of 2-(4-fluorophenyl)triazole-4,5-diamine?
The InChIKey is REBJIKKKKADVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5/c9-5-1-3-6(4-2-5)14-12-7(10)8(11)13-14/h1-4H,(H2,10,12)(H2,11,13).
What are the key properties of 2-(4-fluorophenyl)triazole-4,5-diamine?
2-(4-fluorophenyl)triazole-4,5-diamine has a molecular weight of 193.19 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)triazole-4,5-diamine is sourced from PubChem (CID 23084923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).