4-[2-(dimethylamino)ethylamino]-2,6,7-trimethylpyrido[3,4-d]pyridazine-1,5-dione

C14H21N5O2 — CID 24844960

IUPAC4-[2-(dimethylamino)ethylamino]-2,6,7-trimethylpyrido[3,4-d]pyridazine-1,5-dione
SMILESCc1cc2c(=O)n(C)nc(NCCN(C)C)c2c(=O)n1C
InChIInChI=1S/C14H21N5O2/c1-9-8-10-11(14(21)18(9)4)12(15-6-7-17(2)3)16-19(5)13(10)20/h8H,6-7H2,1-5H3,(H,15,16)
InChIKeyZBJFNAWVGVSYFJ-UHFFFAOYSA-N
MW291.36 g/mol
LogP-0.09
Rot. Bonds4

About 4-[2-(dimethylamino)ethylamino]-2,6,7-trimethylpyrido[3,4-d]pyridazine-1,5-dione

4-[2-(dimethylamino)ethylamino]-2,6,7-trimethylpyrido[3,4-d]pyridazine-1,5-dione (PubChem CID 24844960) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethylamino]-2,6,7-trimethylpyrido[3,4-d]pyridazine-1,5-dione.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethylamino]-2,6,7-trimethylpyrido[3,4-d]pyridazine-1,5-dione
PubChem CID24844960
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name4-[2-(dimethylamino)ethylamino]-2,6,7-trimethylpyrido[3,4-d]pyridazine-1,5-dione
SMILESCc1cc2c(=O)n(C)nc(NCCN(C)C)c2c(=O)n1C
InChIInChI=1S/C14H21N5O2/c1-9-8-10-11(14(21)18(9)4)12(15-6-7-17(2)3)16-19(5)13(10)20/h8H,6-7H2,1-5H3,(H,15,16)
InChIKeyZBJFNAWVGVSYFJ-UHFFFAOYSA-N
XLogP-0.09
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethylamino]-2,6,7-trimethylpyrido[3,4-d]pyridazine-1,5-dione?
The IUPAC name of 4-[2-(dimethylamino)ethylamino]-2,6,7-trimethylpyrido[3,4-d]pyridazine-1,5-dione (CID 24844960) is 4-[2-(dimethylamino)ethylamino]-2,6,7-trimethylpyrido[3,4-d]pyridazine-1,5-dione.
What is the SMILES notation for 4-[2-(dimethylamino)ethylamino]-2,6,7-trimethylpyrido[3,4-d]pyridazine-1,5-dione?
The canonical SMILES for 4-[2-(dimethylamino)ethylamino]-2,6,7-trimethylpyrido[3,4-d]pyridazine-1,5-dione is Cc1cc2c(=O)n(C)nc(NCCN(C)C)c2c(=O)n1C.
What is the InChIKey of 4-[2-(dimethylamino)ethylamino]-2,6,7-trimethylpyrido[3,4-d]pyridazine-1,5-dione?
The InChIKey is ZBJFNAWVGVSYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-9-8-10-11(14(21)18(9)4)12(15-6-7-17(2)3)16-19(5)13(10)20/h8H,6-7H2,1-5H3,(H,15,16).
What are the key properties of 4-[2-(dimethylamino)ethylamino]-2,6,7-trimethylpyrido[3,4-d]pyridazine-1,5-dione?
4-[2-(dimethylamino)ethylamino]-2,6,7-trimethylpyrido[3,4-d]pyridazine-1,5-dione has a molecular weight of 291.36 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethylamino]-2,6,7-trimethylpyrido[3,4-d]pyridazine-1,5-dione is sourced from PubChem (CID 24844960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).