1-(4-fluorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole

C12H14FN3 — CID 142960581

IUPAC1-(4-fluorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole
SMILESCc1nc(C(C)C)nn1-c1ccc(F)cc1
InChIInChI=1S/C12H14FN3/c1-8(2)12-14-9(3)16(15-12)11-6-4-10(13)5-7-11/h4-8H,1-3H3
InChIKeyOXUNAIRDLSIFBF-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.84
Rot. Bonds2

About 1-(4-fluorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole

1-(4-fluorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole (PubChem CID 142960581) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole
PubChem CID142960581
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name1-(4-fluorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole
SMILESCc1nc(C(C)C)nn1-c1ccc(F)cc1
InChIInChI=1S/C12H14FN3/c1-8(2)12-14-9(3)16(15-12)11-6-4-10(13)5-7-11/h4-8H,1-3H3
InChIKeyOXUNAIRDLSIFBF-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid
CID 82513581
5-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole
CID 82513455
4-fluoro-3-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)aniline
CID 82513216
1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate
CID 7018908
3-[(2R)-butan-2-yl]-5-chloro-1-(4-fluorophenyl)-1,2,4-triazole
CID 30032539
1-(2,4-dichlorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole
CID 123784071
N-(2,2-dichloroethyl)-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 126826968
1-(4-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 94031179
[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-pyrrolidin-1-ylmethanone
CID 51246088
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate
CID 18098975
1-[4-[1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperazin-1-yl]ethanone
CID 47014485
6-fluoro-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 84656862

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole (CID 142960581) is 1-(4-fluorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole is Cc1nc(C(C)C)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole?
The InChIKey is OXUNAIRDLSIFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-8(2)12-14-9(3)16(15-12)11-6-4-10(13)5-7-11/h4-8H,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole?
1-(4-fluorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole has a molecular weight of 219.26 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 142960581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).