1-ethyl-3-(4-ethylphenyl)-6-methylpyrimido[4,5-c]pyridazine-5,7-dione

C17H18N4O2 — CID 71818147

IUPAC1-ethyl-3-(4-ethylphenyl)-6-methylpyrimido[4,5-c]pyridazine-5,7-dione
SMILESCCc1ccc(-c2cc3c(=O)n(C)c(=O)nc-3n(CC)n2)cc1
InChIInChI=1S/C17H18N4O2/c1-4-11-6-8-12(9-7-11)14-10-13-15(21(5-2)19-14)18-17(23)20(3)16(13)22/h6-10H,4-5H2,1-3H3
InChIKeyYTUPFKFSXNEWPS-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.69
Rot. Bonds3

About 1-ethyl-3-(4-ethylphenyl)-6-methylpyrimido[4,5-c]pyridazine-5,7-dione

1-ethyl-3-(4-ethylphenyl)-6-methylpyrimido[4,5-c]pyridazine-5,7-dione (PubChem CID 71818147) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-ethyl-3-(4-ethylphenyl)-6-methylpyrimido[4,5-c]pyridazine-5,7-dione.

Molecular Properties

Compound Name1-ethyl-3-(4-ethylphenyl)-6-methylpyrimido[4,5-c]pyridazine-5,7-dione
PubChem CID71818147
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-ethyl-3-(4-ethylphenyl)-6-methylpyrimido[4,5-c]pyridazine-5,7-dione
SMILESCCc1ccc(-c2cc3c(=O)n(C)c(=O)nc-3n(CC)n2)cc1
InChIInChI=1S/C17H18N4O2/c1-4-11-6-8-12(9-7-11)14-10-13-15(21(5-2)19-14)18-17(23)20(3)16(13)22/h6-10H,4-5H2,1-3H3
InChIKeyYTUPFKFSXNEWPS-UHFFFAOYSA-N
XLogP1.69
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-3-(4-ethylphenyl)-6-methylpyrimido[4,5-c]pyridazine-5,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-ethylphenyl)-6-methylpyrimido[4,5-c]pyridazine-5,7-dione?
The IUPAC name of 1-ethyl-3-(4-ethylphenyl)-6-methylpyrimido[4,5-c]pyridazine-5,7-dione (CID 71818147) is 1-ethyl-3-(4-ethylphenyl)-6-methylpyrimido[4,5-c]pyridazine-5,7-dione.
What is the SMILES notation for 1-ethyl-3-(4-ethylphenyl)-6-methylpyrimido[4,5-c]pyridazine-5,7-dione?
The canonical SMILES for 1-ethyl-3-(4-ethylphenyl)-6-methylpyrimido[4,5-c]pyridazine-5,7-dione is CCc1ccc(-c2cc3c(=O)n(C)c(=O)nc-3n(CC)n2)cc1.
What is the InChIKey of 1-ethyl-3-(4-ethylphenyl)-6-methylpyrimido[4,5-c]pyridazine-5,7-dione?
The InChIKey is YTUPFKFSXNEWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-4-11-6-8-12(9-7-11)14-10-13-15(21(5-2)19-14)18-17(23)20(3)16(13)22/h6-10H,4-5H2,1-3H3.
What are the key properties of 1-ethyl-3-(4-ethylphenyl)-6-methylpyrimido[4,5-c]pyridazine-5,7-dione?
1-ethyl-3-(4-ethylphenyl)-6-methylpyrimido[4,5-c]pyridazine-5,7-dione has a molecular weight of 310.36 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-ethylphenyl)-6-methylpyrimido[4,5-c]pyridazine-5,7-dione is sourced from PubChem (CID 71818147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).