5-(4-fluorophenyl)-1H-1,2,4-triazol-3-amine;hydrochloride

C8H8ClFN4 — CID 2858656

IUPAC5-(4-fluorophenyl)-1H-1,2,4-triazol-3-amine;hydrochloride
SMILESCl.Nc1n[nH]c(-c2ccc(F)cc2)n1
InChIInChI=1S/C8H7FN4.ClH/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7;/h1-4H,(H3,10,11,12,13);1H
InChIKeyMQWOLWPUJNNFDW-UHFFFAOYSA-N
MW214.63 g/mol
LogP1.61
Rot. Bonds1

About 5-(4-fluorophenyl)-1H-1,2,4-triazol-3-amine;hydrochloride

5-(4-fluorophenyl)-1H-1,2,4-triazol-3-amine;hydrochloride (PubChem CID 2858656) has the molecular formula C8H8ClFN4 and a molecular weight of 214.63 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1H-1,2,4-triazol-3-amine;hydrochloride.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1H-1,2,4-triazol-3-amine;hydrochloride
PubChem CID2858656
Molecular FormulaC8H8ClFN4
Molecular Weight214.63 g/mol
Exact Mass214.04
IUPAC Name5-(4-fluorophenyl)-1H-1,2,4-triazol-3-amine;hydrochloride
SMILESCl.Nc1n[nH]c(-c2ccc(F)cc2)n1
InChIInChI=1S/C8H7FN4.ClH/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7;/h1-4H,(H3,10,11,12,13);1H
InChIKeyMQWOLWPUJNNFDW-UHFFFAOYSA-N
XLogP1.61
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.63
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1H-1,2,4-triazol-3-amine;hydrochloride?
The IUPAC name of 5-(4-fluorophenyl)-1H-1,2,4-triazol-3-amine;hydrochloride (CID 2858656) is 5-(4-fluorophenyl)-1H-1,2,4-triazol-3-amine;hydrochloride.
What is the SMILES notation for 5-(4-fluorophenyl)-1H-1,2,4-triazol-3-amine;hydrochloride?
The canonical SMILES for 5-(4-fluorophenyl)-1H-1,2,4-triazol-3-amine;hydrochloride is Cl.Nc1n[nH]c(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-(4-fluorophenyl)-1H-1,2,4-triazol-3-amine;hydrochloride?
The InChIKey is MQWOLWPUJNNFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4.ClH/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7;/h1-4H,(H3,10,11,12,13);1H.
What are the key properties of 5-(4-fluorophenyl)-1H-1,2,4-triazol-3-amine;hydrochloride?
5-(4-fluorophenyl)-1H-1,2,4-triazol-3-amine;hydrochloride has a molecular weight of 214.63 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1H-1,2,4-triazol-3-amine;hydrochloride is sourced from PubChem (CID 2858656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).