4-ethyl-1,2,4-triazole-3-carbaldehyde

C5H7N3O — CID 59049280

IUPAC4-ethyl-1,2,4-triazole-3-carbaldehyde
SMILESCCn1cnnc1C=O
InChIInChI=1S/C5H7N3O/c1-2-8-4-6-7-5(8)3-9/h3-4H,2H2,1H3
InChIKeyLXWUVYAENZGHCN-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.11
Rot. Bonds2

About 4-ethyl-1,2,4-triazole-3-carbaldehyde

4-ethyl-1,2,4-triazole-3-carbaldehyde (PubChem CID 59049280) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 4-ethyl-1,2,4-triazole-3-carbaldehyde.

Molecular Properties

Compound Name4-ethyl-1,2,4-triazole-3-carbaldehyde
PubChem CID59049280
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name4-ethyl-1,2,4-triazole-3-carbaldehyde
SMILESCCn1cnnc1C=O
InChIInChI=1S/C5H7N3O/c1-2-8-4-6-7-5(8)3-9/h3-4H,2H2,1H3
InChIKeyLXWUVYAENZGHCN-UHFFFAOYSA-N
XLogP0.11
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.11
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

1-methyl-1H-1,2,4-triazole-5-carbaldehyde
CID 13624278
4,5-dimethyl-4H-1,2,4-triazole-3-carbaldehyde
CID 55253659
1-methyl-1H-1,2,4-triazole-3-carbaldehyde
CID 15707890
4-methyl-4H-1,2,4-triazole-3-carbaldehyde
CID 15707895
1-ethyl-1H-1,2,4-triazole-5-carbaldehyde
CID 28064945
3-(Difluoromethyl)-1-methyl-1H-1,2,4-triazole-5-carbaldehyde
CID 58764215
1,3-dimethyl-1H-1,2,4-triazole-5-carbaldehyde
CID 83478673
4-(propan-2-yl)-4H-1,2,4-triazole-3-carbaldehyde
CID 83872307
1-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole-5-carbaldehyde
CID 84033070
3-bromo-1-methyl-1H-1,2,4-triazole-5-carbaldehyde
CID 84662356
3-bromo-1-ethyl-1H-1,2,4-triazole-5-carbaldehyde
CID 129972900
1-propyl-1H-1,2,4-triazole-5-carbaldehyde
CID 72206902

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,2,4-triazole-3-carbaldehyde?
The IUPAC name of 4-ethyl-1,2,4-triazole-3-carbaldehyde (CID 59049280) is 4-ethyl-1,2,4-triazole-3-carbaldehyde.
What is the SMILES notation for 4-ethyl-1,2,4-triazole-3-carbaldehyde?
The canonical SMILES for 4-ethyl-1,2,4-triazole-3-carbaldehyde is CCn1cnnc1C=O.
What is the InChIKey of 4-ethyl-1,2,4-triazole-3-carbaldehyde?
The InChIKey is LXWUVYAENZGHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-2-8-4-6-7-5(8)3-9/h3-4H,2H2,1H3.
What are the key properties of 4-ethyl-1,2,4-triazole-3-carbaldehyde?
4-ethyl-1,2,4-triazole-3-carbaldehyde has a molecular weight of 125.13 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,2,4-triazole-3-carbaldehyde is sourced from PubChem (CID 59049280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).