2-(4-fluorophenyl)triazol-4-amine;hydrochloride

C8H8ClFN4 — CID 138039681

IUPAC2-(4-fluorophenyl)triazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C8H7FN4.ClH/c9-6-1-3-7(4-2-6)13-11-5-8(10)12-13;/h1-5H,(H2,10,12);1H
InChIKeyOUWPDTOYHVWUJT-UHFFFAOYSA-N
MW214.63 g/mol
LogP1.41
Rot. Bonds1

About 2-(4-fluorophenyl)triazol-4-amine;hydrochloride

2-(4-fluorophenyl)triazol-4-amine;hydrochloride (PubChem CID 138039681) has the molecular formula C8H8ClFN4 and a molecular weight of 214.63 g/mol. Its IUPAC name is 2-(4-fluorophenyl)triazol-4-amine;hydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)triazol-4-amine;hydrochloride
PubChem CID138039681
Molecular FormulaC8H8ClFN4
Molecular Weight214.63 g/mol
Exact Mass214.04
IUPAC Name2-(4-fluorophenyl)triazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C8H7FN4.ClH/c9-6-1-3-7(4-2-6)13-11-5-8(10)12-13;/h1-5H,(H2,10,12);1H
InChIKeyOUWPDTOYHVWUJT-UHFFFAOYSA-N
XLogP1.41
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.63
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-2H-1,2,3-triazol-4-amine
CID 4421759
4-(2H-1,2,3-Triazol-2-yl)aniline
CID 15514363
2-[(3,4-difluorophenyl)methyl]-2H-1,2,3-triazol-4-amine
CID 135260054
2-(3-Fluorophenyl)triazole
CID 123365637
4,5-Diamino-2-phenyl-1,2,3-triazole
CID 10856000
2-(2H-1,2,3-triazol-2-yl)aniline hydrochloride
CID 126796933
5-methyl-2-phenyl-2H-1,2,3-triazol-4-amine hydrochloride
CID 137971716
2-(4-chlorophenyl)-2H-1,2,3-triazol-4-amine hydrochloride
CID 166000434
4-Fluoro-2-phenyltriazole
CID 12686666
1,2-Bis(2-phenyl-2h-1,2,3-triazol-4-yl)-hydrazine
CID 11438526
phenyl(2H-triazol-4-yl)diazene
CID 136140357
2-(2H-1,2,3-Triazol-2-yl)aniline
CID 20978656

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)triazol-4-amine;hydrochloride?
The IUPAC name of 2-(4-fluorophenyl)triazol-4-amine;hydrochloride (CID 138039681) is 2-(4-fluorophenyl)triazol-4-amine;hydrochloride.
What is the SMILES notation for 2-(4-fluorophenyl)triazol-4-amine;hydrochloride?
The canonical SMILES for 2-(4-fluorophenyl)triazol-4-amine;hydrochloride is Cl.Nc1cnn(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)triazol-4-amine;hydrochloride?
The InChIKey is OUWPDTOYHVWUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4.ClH/c9-6-1-3-7(4-2-6)13-11-5-8(10)12-13;/h1-5H,(H2,10,12);1H.
What are the key properties of 2-(4-fluorophenyl)triazol-4-amine;hydrochloride?
2-(4-fluorophenyl)triazol-4-amine;hydrochloride has a molecular weight of 214.63 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)triazol-4-amine;hydrochloride is sourced from PubChem (CID 138039681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).