1-(2-fluoro-3-methylphenyl)-5-propyltriazol-4-amine

C12H15FN4 — CID 114254060

IUPAC1-(2-fluoro-3-methylphenyl)-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1-c1cccc(C)c1F
InChIInChI=1S/C12H15FN4/c1-3-5-10-12(14)15-16-17(10)9-7-4-6-8(2)11(9)13/h4,6-7H,3,5,14H2,1-2H3
InChIKeyXSZAXMNTOADPQM-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.25
Rot. Bonds3

About 1-(2-fluoro-3-methylphenyl)-5-propyltriazol-4-amine

1-(2-fluoro-3-methylphenyl)-5-propyltriazol-4-amine (PubChem CID 114254060) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)-5-propyltriazol-4-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)-5-propyltriazol-4-amine
PubChem CID114254060
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name1-(2-fluoro-3-methylphenyl)-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1-c1cccc(C)c1F
InChIInChI=1S/C12H15FN4/c1-3-5-10-12(14)15-16-17(10)9-7-4-6-8(2)11(9)13/h4,6-7H,3,5,14H2,1-2H3
InChIKeyXSZAXMNTOADPQM-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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Related Compounds

1-(2,3-dimethylphenyl)-5-propyltriazol-4-amine
CID 79501310
1-(2-fluoro-4-methylphenyl)-5-propyltriazol-4-amine
CID 79502997
1-(2-bromo-5-fluorophenyl)-5-propyltriazol-4-amine
CID 107627744
1-(2,4-difluorophenyl)-5-propyltriazol-4-amine
CID 79502072
1-(3-chloro-2-fluorophenyl)-5-ethyltriazol-4-amine
CID 79502999
5-propyl-1-(2,3,5-trifluorophenyl)triazol-4-amine
CID 79508736
5-propyl-1-quinolin-8-yltriazol-4-amine
CID 79502823
1-(5-bromo-2-methylphenyl)-5-propyltriazol-4-amine
CID 79507972
1-(3-fluoro-4-methylphenyl)-5-propyltriazol-4-amine
CID 79502414
1-(4-fluoro-2-iodophenyl)-5-propyltriazol-4-amine
CID 79771810
1-(2-nitrophenyl)-5-propyltriazol-4-amine
CID 79508399
1-(4-bromophenyl)-5-propyltriazol-4-amine
CID 79502698

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)-5-propyltriazol-4-amine?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)-5-propyltriazol-4-amine (CID 114254060) is 1-(2-fluoro-3-methylphenyl)-5-propyltriazol-4-amine.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)-5-propyltriazol-4-amine?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)-5-propyltriazol-4-amine is CCCc1c(N)nnn1-c1cccc(C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)-5-propyltriazol-4-amine?
The InChIKey is XSZAXMNTOADPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-3-5-10-12(14)15-16-17(10)9-7-4-6-8(2)11(9)13/h4,6-7H,3,5,14H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methylphenyl)-5-propyltriazol-4-amine?
1-(2-fluoro-3-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-(2-fluoro-3-methylphenyl)-5-propyltriazol-4-amine is sourced from PubChem (CID 114254060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).