2-(2-ethyl-1,2,4-triazol-3-yl)benzaldehyde

C11H11N3O — CID 130529860

IUPAC2-(2-ethyl-1,2,4-triazol-3-yl)benzaldehyde
SMILESCCn1ncnc1-c1ccccc1C=O
InChIInChI=1S/C11H11N3O/c1-2-14-11(12-8-13-14)10-6-4-3-5-9(10)7-15/h3-8H,2H2,1H3
InChIKeyHLEOEBLRLMSSSH-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.78
Rot. Bonds3

About 2-(2-ethyl-1,2,4-triazol-3-yl)benzaldehyde

2-(2-ethyl-1,2,4-triazol-3-yl)benzaldehyde (PubChem CID 130529860) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(2-ethyl-1,2,4-triazol-3-yl)benzaldehyde.

Molecular Properties

Compound Name2-(2-ethyl-1,2,4-triazol-3-yl)benzaldehyde
PubChem CID130529860
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-(2-ethyl-1,2,4-triazol-3-yl)benzaldehyde
SMILESCCn1ncnc1-c1ccccc1C=O
InChIInChI=1S/C11H11N3O/c1-2-14-11(12-8-13-14)10-6-4-3-5-9(10)7-15/h3-8H,2H2,1H3
InChIKeyHLEOEBLRLMSSSH-UHFFFAOYSA-N
XLogP1.78
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.78
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

2-(1-ethyl-5-methylpyrazol-4-yl)benzaldehyde
CID 66099113
1-ethyl-5-(2-nitrophenyl)-1,2,4-triazole
CID 22493427
1-ethyl-4-(2-formylphenyl)-3-methylpyrazole-5-carboxylic acid
CID 89326072
2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237
4-benzyl-5-(2-ethyl-1,2,4-triazol-3-yl)-1,3-oxazole
CID 163311032
3-(2-ethyl-1,2,4-triazol-3-yl)-4-methylaniline
CID 63653002
1-ethyl-3-methylindazole-7-carbaldehyde
CID 84719161
5-ethyl-3-(2-ethyl-1,2,4-triazol-3-yl)thiophen-2-amine
CID 63616303
ethyl 2-[5-(2-formylphenyl)tetrazol-1-yl]acetate
CID 123626176
4-(2-ethyl-1,2,4-triazol-3-yl)phenol
CID 136641819
2-(5-ethyl-2-methyl-1H-imidazol-4-yl)benzaldehyde
CID 105467724
5-(2-ethyl-1,2,4-triazol-3-yl)-2,4-difluoroaniline
CID 62697395

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)benzaldehyde?
The IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)benzaldehyde (CID 130529860) is 2-(2-ethyl-1,2,4-triazol-3-yl)benzaldehyde.
What is the SMILES notation for 2-(2-ethyl-1,2,4-triazol-3-yl)benzaldehyde?
The canonical SMILES for 2-(2-ethyl-1,2,4-triazol-3-yl)benzaldehyde is CCn1ncnc1-c1ccccc1C=O.
What is the InChIKey of 2-(2-ethyl-1,2,4-triazol-3-yl)benzaldehyde?
The InChIKey is HLEOEBLRLMSSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-2-14-11(12-8-13-14)10-6-4-3-5-9(10)7-15/h3-8H,2H2,1H3.
What are the key properties of 2-(2-ethyl-1,2,4-triazol-3-yl)benzaldehyde?
2-(2-ethyl-1,2,4-triazol-3-yl)benzaldehyde has a molecular weight of 201.23 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,2,4-triazol-3-yl)benzaldehyde is sourced from PubChem (CID 130529860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).