1-(4-fluorophenyl)-5-methyltriazol-4-amine;hydrochloride

C9H10ClFN4 — CID 122164236

IUPAC1-(4-fluorophenyl)-5-methyltriazol-4-amine;hydrochloride
SMILESCc1c(N)nnn1-c1ccc(F)cc1.Cl
InChIInChI=1S/C9H9FN4.ClH/c1-6-9(11)12-13-14(6)8-4-2-7(10)3-5-8;/h2-5H,11H2,1H3;1H
InChIKeyXCFGJUIIFPPPPW-UHFFFAOYSA-N
MW228.66 g/mol
LogP1.72
Rot. Bonds1

About 1-(4-fluorophenyl)-5-methyltriazol-4-amine;hydrochloride

1-(4-fluorophenyl)-5-methyltriazol-4-amine;hydrochloride (PubChem CID 122164236) has the molecular formula C9H10ClFN4 and a molecular weight of 228.66 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyltriazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyltriazol-4-amine;hydrochloride
PubChem CID122164236
Molecular FormulaC9H10ClFN4
Molecular Weight228.66 g/mol
Exact Mass228.06
IUPAC Name1-(4-fluorophenyl)-5-methyltriazol-4-amine;hydrochloride
SMILESCc1c(N)nnn1-c1ccc(F)cc1.Cl
InChIInChI=1S/C9H9FN4.ClH/c1-6-9(11)12-13-14(6)8-4-2-7(10)3-5-8;/h2-5H,11H2,1H3;1H
InChIKeyXCFGJUIIFPPPPW-UHFFFAOYSA-N
XLogP1.72
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.66
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyltriazol-4-amine;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-5-methyltriazol-4-amine;hydrochloride (CID 122164236) is 1-(4-fluorophenyl)-5-methyltriazol-4-amine;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyltriazol-4-amine;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyltriazol-4-amine;hydrochloride is Cc1c(N)nnn1-c1ccc(F)cc1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyltriazol-4-amine;hydrochloride?
The InChIKey is XCFGJUIIFPPPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4.ClH/c1-6-9(11)12-13-14(6)8-4-2-7(10)3-5-8;/h2-5H,11H2,1H3;1H.
What are the key properties of 1-(4-fluorophenyl)-5-methyltriazol-4-amine;hydrochloride?
1-(4-fluorophenyl)-5-methyltriazol-4-amine;hydrochloride has a molecular weight of 228.66 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyltriazol-4-amine;hydrochloride is sourced from PubChem (CID 122164236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).