2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde

C8H8N4O2 — CID 104818886

IUPAC2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde
SMILESCCOc1nc2ncc(C=O)cn2n1
InChIInChI=1S/C8H8N4O2/c1-2-14-8-10-7-9-3-6(5-13)4-12(7)11-8/h3-5H,2H2,1H3
InChIKeyDSQVOQZNUHSYNI-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.34
Rot. Bonds3

About 2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde

2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde (PubChem CID 104818886) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde.

Molecular Properties

Compound Name2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde
PubChem CID104818886
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde
SMILESCCOc1nc2ncc(C=O)cn2n1
InChIInChI=1S/C8H8N4O2/c1-2-14-8-10-7-9-3-6(5-13)4-12(7)11-8/h3-5H,2H2,1H3
InChIKeyDSQVOQZNUHSYNI-UHFFFAOYSA-N
XLogP0.34
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 82404041
3-ethylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 104621790
2-tert-butylimidazo[1,2-a]pyrimidine-6-carbaldehyde
CID 83832182
2-ethoxy-1-methylimidazole-4-carbaldehyde
CID 146287739
3-ethoxy-1,2,4-triazine-5-carbaldehyde
CID 105429838
6-amino-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde
CID 84651506
3-chloroimidazo[1,2-a]pyrimidine-6-carbaldehyde
CID 83828452
5-[3-ethoxy-7-(4-methoxyphenyl)imidazo[1,2-b][1,2,4,5]tetrazin-6-yl]pyridine-3-carbaldehyde
CID 46862383
3-(chloromethyl)imidazo[1,2-a]pyrimidine-6-carbaldehyde
CID 55264131
2-(2-ethoxybutan-2-yl)pyrimidine-5-carbaldehyde
CID 116778410
3-(2-ethoxypyrimidin-5-yl)prop-2-en-1-ol
CID 169453301
2-ethylpyrimidine-5-carbaldehyde
CID 3160971

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde?
The IUPAC name of 2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde (CID 104818886) is 2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde.
What is the SMILES notation for 2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde?
The canonical SMILES for 2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde is CCOc1nc2ncc(C=O)cn2n1.
What is the InChIKey of 2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde?
The InChIKey is DSQVOQZNUHSYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-2-14-8-10-7-9-3-6(5-13)4-12(7)11-8/h3-5H,2H2,1H3.
What are the key properties of 2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde?
2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde has a molecular weight of 192.18 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 104818886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).