1-(5-fluoro-2-methylphenyl)-5-propan-2-yltriazol-4-amine

C12H15FN4 — CID 79500698

IUPAC1-(5-fluoro-2-methylphenyl)-5-propan-2-yltriazol-4-amine
SMILESCc1ccc(F)cc1-n1nnc(N)c1C(C)C
InChIInChI=1S/C12H15FN4/c1-7(2)11-12(14)15-16-17(11)10-6-9(13)5-4-8(10)3/h4-7H,14H2,1-3H3
InChIKeyFBBZQYXRZQZVSI-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.42
Rot. Bonds2

About 1-(5-fluoro-2-methylphenyl)-5-propan-2-yltriazol-4-amine

1-(5-fluoro-2-methylphenyl)-5-propan-2-yltriazol-4-amine (PubChem CID 79500698) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-5-propan-2-yltriazol-4-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-5-propan-2-yltriazol-4-amine
PubChem CID79500698
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name1-(5-fluoro-2-methylphenyl)-5-propan-2-yltriazol-4-amine
SMILESCc1ccc(F)cc1-n1nnc(N)c1C(C)C
InChIInChI=1S/C12H15FN4/c1-7(2)11-12(14)15-16-17(11)10-6-9(13)5-4-8(10)3/h4-7H,14H2,1-3H3
InChIKeyFBBZQYXRZQZVSI-UHFFFAOYSA-N
XLogP2.42
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-5-propan-2-yltriazol-4-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-5-propan-2-yltriazol-4-amine (CID 79500698) is 1-(5-fluoro-2-methylphenyl)-5-propan-2-yltriazol-4-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-5-propan-2-yltriazol-4-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-5-propan-2-yltriazol-4-amine is Cc1ccc(F)cc1-n1nnc(N)c1C(C)C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-5-propan-2-yltriazol-4-amine?
The InChIKey is FBBZQYXRZQZVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-7(2)11-12(14)15-16-17(11)10-6-9(13)5-4-8(10)3/h4-7H,14H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-5-propan-2-yltriazol-4-amine?
1-(5-fluoro-2-methylphenyl)-5-propan-2-yltriazol-4-amine has a molecular weight of 234.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-5-propan-2-yltriazol-4-amine is sourced from PubChem (CID 79500698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).