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

C10H8FN3O — CID 175512323

IUPAC2-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde
SMILESCc1nc(C=O)n(-c2ccccc2F)n1
InChIInChI=1S/C10H8FN3O/c1-7-12-10(6-15)14(13-7)9-5-3-2-4-8(9)11/h2-6H,1H3
InChIKeyRRBYTSRVFYCMAW-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.53
Rot. Bonds2

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

2-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde (PubChem CID 175512323) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde
PubChem CID175512323
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name2-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde
SMILESCc1nc(C=O)n(-c2ccccc2F)n1
InChIInChI=1S/C10H8FN3O/c1-7-12-10(6-15)14(13-7)9-5-3-2-4-8(9)11/h2-6H,1H3
InChIKeyRRBYTSRVFYCMAW-UHFFFAOYSA-N
XLogP1.53
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)-3-methyl-1,2,4-triazole
CID 157014127
5-amino-1-(2-fluorophenyl)pyrazole-4-carbaldehyde
CID 46197465
3-(2-fluorophenyl)-4-oxoquinazoline-2-carbaldehyde
CID 165126111
1-(2-fluorophenyl)-5-propan-2-yltriazole-4-carbaldehyde
CID 82196457
3-chloro-1-(2-fluorophenyl)-5-methylpyrazole
CID 59022674
1-(2-fluorophenyl)-4,5-dimethylpyrazole
CID 21033985
5-bromo-1-(2-fluorophenyl)-3-(4-fluorophenyl)pyrazole-4-carbaldehyde
CID 87406174
1-[1-(2-fluorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]ethanone;manganese
CID 177064731
5-amino-1-(2-fluorophenyl)-3-methylpyrazole-4-carboxylic acid
CID 71044411
2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-oxoacetic acid
CID 82133196
[1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanediol
CID 163437904
3-(chloromethyl)-1-(2-fluorophenyl)-5-methylpyrazole
CID 82128124

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde?
The IUPAC name of 2-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde (CID 175512323) is 2-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde.
What is the SMILES notation for 2-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde?
The canonical SMILES for 2-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde is Cc1nc(C=O)n(-c2ccccc2F)n1.
What is the InChIKey of 2-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde?
The InChIKey is RRBYTSRVFYCMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c1-7-12-10(6-15)14(13-7)9-5-3-2-4-8(9)11/h2-6H,1H3.
What are the key properties of 2-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde?
2-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde has a molecular weight of 205.19 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde is sourced from PubChem (CID 175512323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).