1-(3-fluoro-4-methylphenyl)-5-propyltriazol-4-amine

C12H15FN4 — CID 79502414

IUPAC1-(3-fluoro-4-methylphenyl)-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1-c1ccc(C)c(F)c1
InChIInChI=1S/C12H15FN4/c1-3-4-11-12(14)15-16-17(11)9-6-5-8(2)10(13)7-9/h5-7H,3-4,14H2,1-2H3
InChIKeyCGUHVMCRKWTKAZ-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.25
Rot. Bonds3

About 1-(3-fluoro-4-methylphenyl)-5-propyltriazol-4-amine

1-(3-fluoro-4-methylphenyl)-5-propyltriazol-4-amine (PubChem CID 79502414) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-5-propyltriazol-4-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-5-propyltriazol-4-amine
PubChem CID79502414
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name1-(3-fluoro-4-methylphenyl)-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1-c1ccc(C)c(F)c1
InChIInChI=1S/C12H15FN4/c1-3-4-11-12(14)15-16-17(11)9-6-5-8(2)10(13)7-9/h5-7H,3-4,14H2,1-2H3
InChIKeyCGUHVMCRKWTKAZ-UHFFFAOYSA-N
XLogP2.25
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-5-propyltriazol-4-amine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-5-propyltriazol-4-amine (CID 79502414) is 1-(3-fluoro-4-methylphenyl)-5-propyltriazol-4-amine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-5-propyltriazol-4-amine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-5-propyltriazol-4-amine is CCCc1c(N)nnn1-c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-5-propyltriazol-4-amine?
The InChIKey is CGUHVMCRKWTKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-3-4-11-12(14)15-16-17(11)9-6-5-8(2)10(13)7-9/h5-7H,3-4,14H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-5-propyltriazol-4-amine?
1-(3-fluoro-4-methylphenyl)-5-propyltriazol-4-amine has a molecular weight of 234.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-5-propyltriazol-4-amine is sourced from PubChem (CID 79502414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).