3-ethoxy-1,2,4-triazine-5-carbaldehyde

C6H7N3O2 — CID 105429838

IUPAC3-ethoxy-1,2,4-triazine-5-carbaldehyde
SMILESCCOc1nncc(C=O)n1
InChIInChI=1S/C6H7N3O2/c1-2-11-6-8-5(4-10)3-7-9-6/h3-4H,2H2,1H3
InChIKeyGUKSCEUQYQIZCE-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.08
Rot. Bonds3

About 3-ethoxy-1,2,4-triazine-5-carbaldehyde

3-ethoxy-1,2,4-triazine-5-carbaldehyde (PubChem CID 105429838) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 3-ethoxy-1,2,4-triazine-5-carbaldehyde.

Molecular Properties

Compound Name3-ethoxy-1,2,4-triazine-5-carbaldehyde
PubChem CID105429838
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name3-ethoxy-1,2,4-triazine-5-carbaldehyde
SMILESCCOc1nncc(C=O)n1
InChIInChI=1S/C6H7N3O2/c1-2-11-6-8-5(4-10)3-7-9-6/h3-4H,2H2,1H3
InChIKeyGUKSCEUQYQIZCE-UHFFFAOYSA-N
XLogP0.08
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-1,3-thiazole-4-carbaldehyde
CID 83872893
2-ethoxy-1-methylimidazole-4-carbaldehyde
CID 146287739
2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 104818886
3-hept-1-yn-3-ylsulfanyl-1,2,4-triazine-5-carbaldehyde
CID 174264319
(NZ)-N-[(3-methoxy-1,2,4-triazin-5-yl)methylidene]hydroxylamine
CID 135778292
2-(3-ethoxypentan-3-yl)pyrimidine-4-carbaldehyde
CID 116778368
pyrazine-2,6-dicarbaldehyde
CID 23496663
4-ethoxy-2-ethylpyrimidine-5-carbaldehyde
CID 83875387
2-(2-ethoxybutan-2-yl)pyrimidine-5-carbaldehyde
CID 116778410
5-(ethoxymethyl)pyridine-2-carbaldehyde
CID 88594299
3-(2-methoxyethoxy)-5-[3-(2-methoxyethoxy)-1,2,4-triazin-5-yl]-1,2,4-triazine
CID 164620136
2-ethylpyrimidine-5-carbaldehyde
CID 3160971

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,2,4-triazine-5-carbaldehyde?
The IUPAC name of 3-ethoxy-1,2,4-triazine-5-carbaldehyde (CID 105429838) is 3-ethoxy-1,2,4-triazine-5-carbaldehyde.
What is the SMILES notation for 3-ethoxy-1,2,4-triazine-5-carbaldehyde?
The canonical SMILES for 3-ethoxy-1,2,4-triazine-5-carbaldehyde is CCOc1nncc(C=O)n1.
What is the InChIKey of 3-ethoxy-1,2,4-triazine-5-carbaldehyde?
The InChIKey is GUKSCEUQYQIZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-2-11-6-8-5(4-10)3-7-9-6/h3-4H,2H2,1H3.
What are the key properties of 3-ethoxy-1,2,4-triazine-5-carbaldehyde?
3-ethoxy-1,2,4-triazine-5-carbaldehyde has a molecular weight of 153.14 g/mol, XLogP of 0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,2,4-triazine-5-carbaldehyde is sourced from PubChem (CID 105429838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).