5-(3-fluorophenyl)-3-propan-2-yltriazol-4-amine

C11H13FN4 — CID 105475482

IUPAC5-(3-fluorophenyl)-3-propan-2-yltriazol-4-amine
SMILESCC(C)n1nnc(-c2cccc(F)c2)c1N
InChIInChI=1S/C11H13FN4/c1-7(2)16-11(13)10(14-15-16)8-4-3-5-9(12)6-8/h3-7H,13H2,1-2H3
InChIKeyCLGGJSBGVFOGGA-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.25
Rot. Bonds2

About 5-(3-fluorophenyl)-3-propan-2-yltriazol-4-amine

5-(3-fluorophenyl)-3-propan-2-yltriazol-4-amine (PubChem CID 105475482) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-propan-2-yltriazol-4-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-propan-2-yltriazol-4-amine
PubChem CID105475482
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name5-(3-fluorophenyl)-3-propan-2-yltriazol-4-amine
SMILESCC(C)n1nnc(-c2cccc(F)c2)c1N
InChIInChI=1S/C11H13FN4/c1-7(2)16-11(13)10(14-15-16)8-4-3-5-9(12)6-8/h3-7H,13H2,1-2H3
InChIKeyCLGGJSBGVFOGGA-UHFFFAOYSA-N
XLogP2.25
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-fluorophenyl)-3-propan-2-yltriazole-4-carbaldehyde
CID 105492399
5-(4-methylphenyl)-3-propan-2-yltriazol-4-amine
CID 105470234
4-(3-fluorophenyl)-1-propan-2-ylpyrrol-3-amine
CID 117223618
3-(3-fluorophenyl)-5-phenyltriazol-4-amine
CID 82370249
3-(3-fluorophenyl)-5-(4-fluorophenyl)triazol-4-amine
CID 82370255
6-(3-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80975741
6-(3-fluorophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 158796576
4-(3-fluorophenyl)-1,2,5-oxadiazol-3-amine
CID 62501532
[3-cyclopropyl-5-(3-fluorophenyl)triazol-4-yl]methanamine
CID 105490817
3-(3-bromophenyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43158704
4-(3-bromophenyl)-3-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43560827
3-(3-fluorophenyl)-1-propylpyrazol-4-amine
CID 83223075

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-propan-2-yltriazol-4-amine?
The IUPAC name of 5-(3-fluorophenyl)-3-propan-2-yltriazol-4-amine (CID 105475482) is 5-(3-fluorophenyl)-3-propan-2-yltriazol-4-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-3-propan-2-yltriazol-4-amine?
The canonical SMILES for 5-(3-fluorophenyl)-3-propan-2-yltriazol-4-amine is CC(C)n1nnc(-c2cccc(F)c2)c1N.
What is the InChIKey of 5-(3-fluorophenyl)-3-propan-2-yltriazol-4-amine?
The InChIKey is CLGGJSBGVFOGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-7(2)16-11(13)10(14-15-16)8-4-3-5-9(12)6-8/h3-7H,13H2,1-2H3.
What are the key properties of 5-(3-fluorophenyl)-3-propan-2-yltriazol-4-amine?
5-(3-fluorophenyl)-3-propan-2-yltriazol-4-amine has a molecular weight of 220.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-propan-2-yltriazol-4-amine is sourced from PubChem (CID 105475482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).