1,2-dihydropyridazine-3,6-dione;N-ethylethanamine

C8H15N3O2 — CID 21278031

IUPAC1,2-dihydropyridazine-3,6-dione;N-ethylethanamine
SMILESCCNCC.O=c1ccc(=O)[nH][nH]1
InChIInChI=1S/C4H4N2O2.C4H11N/c7-3-1-2-4(8)6-5-3;1-3-5-4-2/h1-2H,(H,5,7)(H,6,8);5H,3-4H2,1-2H3
InChIKeyKAZGUEXLRUBBOH-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.32
Rot. Bonds2

About 1,2-dihydropyridazine-3,6-dione;N-ethylethanamine

1,2-dihydropyridazine-3,6-dione;N-ethylethanamine (PubChem CID 21278031) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1,2-dihydropyridazine-3,6-dione;N-ethylethanamine.

Molecular Properties

Compound Name1,2-dihydropyridazine-3,6-dione;N-ethylethanamine
PubChem CID21278031
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1,2-dihydropyridazine-3,6-dione;N-ethylethanamine
SMILESCCNCC.O=c1ccc(=O)[nH][nH]1
InChIInChI=1S/C4H4N2O2.C4H11N/c7-3-1-2-4(8)6-5-3;1-3-5-4-2/h1-2H,(H,5,7)(H,6,8);5H,3-4H2,1-2H3
InChIKeyKAZGUEXLRUBBOH-UHFFFAOYSA-N
XLogP-0.32
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridazine-3,6-dione;N-ethylethanamine?
The IUPAC name of 1,2-dihydropyridazine-3,6-dione;N-ethylethanamine (CID 21278031) is 1,2-dihydropyridazine-3,6-dione;N-ethylethanamine.
What is the SMILES notation for 1,2-dihydropyridazine-3,6-dione;N-ethylethanamine?
The canonical SMILES for 1,2-dihydropyridazine-3,6-dione;N-ethylethanamine is CCNCC.O=c1ccc(=O)[nH][nH]1.
What is the InChIKey of 1,2-dihydropyridazine-3,6-dione;N-ethylethanamine?
The InChIKey is KAZGUEXLRUBBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.C4H11N/c7-3-1-2-4(8)6-5-3;1-3-5-4-2/h1-2H,(H,5,7)(H,6,8);5H,3-4H2,1-2H3.
What are the key properties of 1,2-dihydropyridazine-3,6-dione;N-ethylethanamine?
1,2-dihydropyridazine-3,6-dione;N-ethylethanamine has a molecular weight of 185.23 g/mol, XLogP of -0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridazine-3,6-dione;N-ethylethanamine is sourced from PubChem (CID 21278031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).