4-(4-fluorophenyl)-1-methyl-5-propan-2-yltriazole

C12H14FN3 — CID 176723263

IUPAC4-(4-fluorophenyl)-1-methyl-5-propan-2-yltriazole
SMILESCC(C)c1c(-c2ccc(F)cc2)nnn1C
InChIInChI=1S/C12H14FN3/c1-8(2)12-11(14-15-16(12)3)9-4-6-10(13)7-5-9/h4-8H,1-3H3
InChIKeyHYEXYWMRGGHKES-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.74
Rot. Bonds2

About 4-(4-fluorophenyl)-1-methyl-5-propan-2-yltriazole

4-(4-fluorophenyl)-1-methyl-5-propan-2-yltriazole (PubChem CID 176723263) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-methyl-5-propan-2-yltriazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-methyl-5-propan-2-yltriazole
PubChem CID176723263
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name4-(4-fluorophenyl)-1-methyl-5-propan-2-yltriazole
SMILESCC(C)c1c(-c2ccc(F)cc2)nnn1C
InChIInChI=1S/C12H14FN3/c1-8(2)12-11(14-15-16(12)3)9-4-6-10(13)7-5-9/h4-8H,1-3H3
InChIKeyHYEXYWMRGGHKES-UHFFFAOYSA-N
XLogP2.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluorophenyl)-3-methyltriazol-4-amine
CID 83637005
2-bromo-1-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethanone
CID 88531319
6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide
CID 57335094
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
3,5-bis(4-fluorophenyl)triazol-4-amine
CID 82370214
1-(1-cyclopropylethyl)-3-(4-fluorophenyl)pyrazol-4-amine
CID 83218426
1-(5-bromo-3-methyltriazol-4-yl)-2-(4-fluorophenyl)-2-methylpropan-1-ol
CID 106461840
4-chloro-3-(4-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyrazolo[3,4-c]pyridazine
CID 168745591
2-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]pyridine
CID 141332373
5-(4-fluorophenyl)-3-methyl-2-propylimidazol-4-amine
CID 62220284
2-bromo-1-[5-[4-(methoxymethoxy)phenyl]-3-methyltriazol-4-yl]ethanol
CID 164702856
3-(2,6-dimethylphenyl)-5-(4-fluorophenyl)triazol-4-amine
CID 82370384

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-methyl-5-propan-2-yltriazole?
The IUPAC name of 4-(4-fluorophenyl)-1-methyl-5-propan-2-yltriazole (CID 176723263) is 4-(4-fluorophenyl)-1-methyl-5-propan-2-yltriazole.
What is the SMILES notation for 4-(4-fluorophenyl)-1-methyl-5-propan-2-yltriazole?
The canonical SMILES for 4-(4-fluorophenyl)-1-methyl-5-propan-2-yltriazole is CC(C)c1c(-c2ccc(F)cc2)nnn1C.
What is the InChIKey of 4-(4-fluorophenyl)-1-methyl-5-propan-2-yltriazole?
The InChIKey is HYEXYWMRGGHKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-8(2)12-11(14-15-16(12)3)9-4-6-10(13)7-5-9/h4-8H,1-3H3.
What are the key properties of 4-(4-fluorophenyl)-1-methyl-5-propan-2-yltriazole?
4-(4-fluorophenyl)-1-methyl-5-propan-2-yltriazole has a molecular weight of 219.26 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-methyl-5-propan-2-yltriazole is sourced from PubChem (CID 176723263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).