[2-(2-fluorophenyl)triazol-4-yl]methanamine;hydrochloride

C9H10ClFN4 — CID 117071648

IUPAC[2-(2-fluorophenyl)triazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cnn(-c2ccccc2F)n1
InChIInChI=1S/C9H9FN4.ClH/c10-8-3-1-2-4-9(8)14-12-6-7(5-11)13-14;/h1-4,6H,5,11H2;1H
InChIKeyYQHSTXMPORCJBX-UHFFFAOYSA-N
MW228.66 g/mol
LogP1.29
Rot. Bonds2

About [2-(2-fluorophenyl)triazol-4-yl]methanamine;hydrochloride

[2-(2-fluorophenyl)triazol-4-yl]methanamine;hydrochloride (PubChem CID 117071648) has the molecular formula C9H10ClFN4 and a molecular weight of 228.66 g/mol. Its IUPAC name is [2-(2-fluorophenyl)triazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(2-fluorophenyl)triazol-4-yl]methanamine;hydrochloride
PubChem CID117071648
Molecular FormulaC9H10ClFN4
Molecular Weight228.66 g/mol
Exact Mass228.06
IUPAC Name[2-(2-fluorophenyl)triazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cnn(-c2ccccc2F)n1
InChIInChI=1S/C9H9FN4.ClH/c10-8-3-1-2-4-9(8)14-12-6-7(5-11)13-14;/h1-4,6H,5,11H2;1H
InChIKeyYQHSTXMPORCJBX-UHFFFAOYSA-N
XLogP1.29
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.66
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)triazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [2-(2-fluorophenyl)triazol-4-yl]methanamine;hydrochloride (CID 117071648) is [2-(2-fluorophenyl)triazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [2-(2-fluorophenyl)triazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [2-(2-fluorophenyl)triazol-4-yl]methanamine;hydrochloride is Cl.NCc1cnn(-c2ccccc2F)n1.
What is the InChIKey of [2-(2-fluorophenyl)triazol-4-yl]methanamine;hydrochloride?
The InChIKey is YQHSTXMPORCJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4.ClH/c10-8-3-1-2-4-9(8)14-12-6-7(5-11)13-14;/h1-4,6H,5,11H2;1H.
What are the key properties of [2-(2-fluorophenyl)triazol-4-yl]methanamine;hydrochloride?
[2-(2-fluorophenyl)triazol-4-yl]methanamine;hydrochloride has a molecular weight of 228.66 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)triazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 117071648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).