3-(diethoxymethyl)-4-methyl-6-phenylpyridazine

C16H20N2O2 — CID 67149429

IUPAC3-(diethoxymethyl)-4-methyl-6-phenylpyridazine
SMILESCCOC(OCC)c1nnc(-c2ccccc2)cc1C
InChIInChI=1S/C16H20N2O2/c1-4-19-16(20-5-2)15-12(3)11-14(17-18-15)13-9-7-6-8-10-13/h6-11,16H,4-5H2,1-3H3
InChIKeyFHGIVGRWFCMUQW-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.52
Rot. Bonds6

About 3-(diethoxymethyl)-4-methyl-6-phenylpyridazine

3-(diethoxymethyl)-4-methyl-6-phenylpyridazine (PubChem CID 67149429) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(diethoxymethyl)-4-methyl-6-phenylpyridazine.

Molecular Properties

Compound Name3-(diethoxymethyl)-4-methyl-6-phenylpyridazine
PubChem CID67149429
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-(diethoxymethyl)-4-methyl-6-phenylpyridazine
SMILESCCOC(OCC)c1nnc(-c2ccccc2)cc1C
InChIInChI=1S/C16H20N2O2/c1-4-19-16(20-5-2)15-12(3)11-14(17-18-15)13-9-7-6-8-10-13/h6-11,16H,4-5H2,1-3H3
InChIKeyFHGIVGRWFCMUQW-UHFFFAOYSA-N
XLogP3.52
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(diethoxymethyl)-4-methyl-6-phenylpyridazine?
The IUPAC name of 3-(diethoxymethyl)-4-methyl-6-phenylpyridazine (CID 67149429) is 3-(diethoxymethyl)-4-methyl-6-phenylpyridazine.
What is the SMILES notation for 3-(diethoxymethyl)-4-methyl-6-phenylpyridazine?
The canonical SMILES for 3-(diethoxymethyl)-4-methyl-6-phenylpyridazine is CCOC(OCC)c1nnc(-c2ccccc2)cc1C.
What is the InChIKey of 3-(diethoxymethyl)-4-methyl-6-phenylpyridazine?
The InChIKey is FHGIVGRWFCMUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-19-16(20-5-2)15-12(3)11-14(17-18-15)13-9-7-6-8-10-13/h6-11,16H,4-5H2,1-3H3.
What are the key properties of 3-(diethoxymethyl)-4-methyl-6-phenylpyridazine?
3-(diethoxymethyl)-4-methyl-6-phenylpyridazine has a molecular weight of 272.35 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethoxymethyl)-4-methyl-6-phenylpyridazine is sourced from PubChem (CID 67149429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).