5-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one

C16H20N6O2 — CID 56778421

IUPAC5-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
SMILESCCNc1cc2c(nn1)CCN(C(=O)c1c(C)c(C)n[nH]c1=O)C2
InChIInChI=1S/C16H20N6O2/c1-4-17-13-7-11-8-22(6-5-12(11)19-20-13)16(24)14-9(2)10(3)18-21-15(14)23/h7H,4-6,8H2,1-3H3,(H,17,20)(H,21,23)
InChIKeyDHLIIOTYLVIABD-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.81
Rot. Bonds3

About 5-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one

5-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one (PubChem CID 56778421) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 5-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
PubChem CID56778421
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name5-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
SMILESCCNc1cc2c(nn1)CCN(C(=O)c1c(C)c(C)n[nH]c1=O)C2
InChIInChI=1S/C16H20N6O2/c1-4-17-13-7-11-8-22(6-5-12(11)19-20-13)16(24)14-9(2)10(3)18-21-15(14)23/h7H,4-6,8H2,1-3H3,(H,17,20)(H,21,23)
InChIKeyDHLIIOTYLVIABD-UHFFFAOYSA-N
XLogP0.81
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one?
The IUPAC name of 5-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one (CID 56778421) is 5-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one?
The canonical SMILES for 5-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one is CCNc1cc2c(nn1)CCN(C(=O)c1c(C)c(C)n[nH]c1=O)C2.
What is the InChIKey of 5-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one?
The InChIKey is DHLIIOTYLVIABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-4-17-13-7-11-8-22(6-5-12(11)19-20-13)16(24)14-9(2)10(3)18-21-15(14)23/h7H,4-6,8H2,1-3H3,(H,17,20)(H,21,23).
What are the key properties of 5-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one?
5-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one has a molecular weight of 328.38 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one is sourced from PubChem (CID 56778421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).