4-methoxyimidazo[5,1-f][1,2,4]triazine-7-carbaldehyde

C7H6N4O2 — CID 83874786

IUPAC4-methoxyimidazo[5,1-f][1,2,4]triazine-7-carbaldehyde
SMILESCOc1ncnn2c(C=O)ncc12
InChIInChI=1S/C7H6N4O2/c1-13-7-5-2-8-6(3-12)11(5)10-4-9-7/h2-4H,1H3
InChIKeyHXMORIMMBFUMSU-UHFFFAOYSA-N
MW178.15 g/mol
LogP-0.05
Rot. Bonds2

About 4-methoxyimidazo[5,1-f][1,2,4]triazine-7-carbaldehyde

4-methoxyimidazo[5,1-f][1,2,4]triazine-7-carbaldehyde (PubChem CID 83874786) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 4-methoxyimidazo[5,1-f][1,2,4]triazine-7-carbaldehyde.

Molecular Properties

Compound Name4-methoxyimidazo[5,1-f][1,2,4]triazine-7-carbaldehyde
PubChem CID83874786
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name4-methoxyimidazo[5,1-f][1,2,4]triazine-7-carbaldehyde
SMILESCOc1ncnn2c(C=O)ncc12
InChIInChI=1S/C7H6N4O2/c1-13-7-5-2-8-6(3-12)11(5)10-4-9-7/h2-4H,1H3
InChIKeyHXMORIMMBFUMSU-UHFFFAOYSA-N
XLogP-0.05
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxyimidazo[5,1-f][1,2,4]triazine-7-carbaldehyde?
The IUPAC name of 4-methoxyimidazo[5,1-f][1,2,4]triazine-7-carbaldehyde (CID 83874786) is 4-methoxyimidazo[5,1-f][1,2,4]triazine-7-carbaldehyde.
What is the SMILES notation for 4-methoxyimidazo[5,1-f][1,2,4]triazine-7-carbaldehyde?
The canonical SMILES for 4-methoxyimidazo[5,1-f][1,2,4]triazine-7-carbaldehyde is COc1ncnn2c(C=O)ncc12.
What is the InChIKey of 4-methoxyimidazo[5,1-f][1,2,4]triazine-7-carbaldehyde?
The InChIKey is HXMORIMMBFUMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c1-13-7-5-2-8-6(3-12)11(5)10-4-9-7/h2-4H,1H3.
What are the key properties of 4-methoxyimidazo[5,1-f][1,2,4]triazine-7-carbaldehyde?
4-methoxyimidazo[5,1-f][1,2,4]triazine-7-carbaldehyde has a molecular weight of 178.15 g/mol, XLogP of -0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyimidazo[5,1-f][1,2,4]triazine-7-carbaldehyde is sourced from PubChem (CID 83874786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).