[2-fluoro-4-(triazol-1-yl)phenyl]methanamine;hydrochloride

C9H10ClFN4 — CID 68520918

IUPAC[2-fluoro-4-(triazol-1-yl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-n2ccnn2)cc1F
InChIInChI=1S/C9H9FN4.ClH/c10-9-5-8(2-1-7(9)6-11)14-4-3-12-13-14;/h1-5H,6,11H2;1H
InChIKeyCOZJAQVCOSPIGJ-UHFFFAOYSA-N
MW228.66 g/mol
LogP1.29
Rot. Bonds2

About [2-fluoro-4-(triazol-1-yl)phenyl]methanamine;hydrochloride

[2-fluoro-4-(triazol-1-yl)phenyl]methanamine;hydrochloride (PubChem CID 68520918) has the molecular formula C9H10ClFN4 and a molecular weight of 228.66 g/mol. Its IUPAC name is [2-fluoro-4-(triazol-1-yl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-fluoro-4-(triazol-1-yl)phenyl]methanamine;hydrochloride
PubChem CID68520918
Molecular FormulaC9H10ClFN4
Molecular Weight228.66 g/mol
Exact Mass228.06
IUPAC Name[2-fluoro-4-(triazol-1-yl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-n2ccnn2)cc1F
InChIInChI=1S/C9H9FN4.ClH/c10-9-5-8(2-1-7(9)6-11)14-4-3-12-13-14;/h1-5H,6,11H2;1H
InChIKeyCOZJAQVCOSPIGJ-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-fluoro-4-(triazol-1-yl)phenyl]methanamine;hydrochloride?
The IUPAC name of [2-fluoro-4-(triazol-1-yl)phenyl]methanamine;hydrochloride (CID 68520918) is [2-fluoro-4-(triazol-1-yl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [2-fluoro-4-(triazol-1-yl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [2-fluoro-4-(triazol-1-yl)phenyl]methanamine;hydrochloride is Cl.NCc1ccc(-n2ccnn2)cc1F.
What is the InChIKey of [2-fluoro-4-(triazol-1-yl)phenyl]methanamine;hydrochloride?
The InChIKey is COZJAQVCOSPIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4.ClH/c10-9-5-8(2-1-7(9)6-11)14-4-3-12-13-14;/h1-5H,6,11H2;1H.
What are the key properties of [2-fluoro-4-(triazol-1-yl)phenyl]methanamine;hydrochloride?
[2-fluoro-4-(triazol-1-yl)phenyl]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-fluoro-4-(triazol-1-yl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 68520918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).