2,3-dihydro-1H-inden-5-yl-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone

C18H20N4O — CID 56778303

IUPAC2,3-dihydro-1H-inden-5-yl-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone
SMILESCNc1cc2c(nn1)CCN(C(=O)c1ccc3c(c1)CCC3)C2
InChIInChI=1S/C18H20N4O/c1-19-17-10-15-11-22(8-7-16(15)20-21-17)18(23)14-6-5-12-3-2-4-13(12)9-14/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,19,21)
InChIKeySCRSJHQSUZXBIQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.21
Rot. Bonds2

About 2,3-dihydro-1H-inden-5-yl-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone

2,3-dihydro-1H-inden-5-yl-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone (PubChem CID 56778303) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone
PubChem CID56778303
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name2,3-dihydro-1H-inden-5-yl-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone
SMILESCNc1cc2c(nn1)CCN(C(=O)c1ccc3c(c1)CCC3)C2
InChIInChI=1S/C18H20N4O/c1-19-17-10-15-11-22(8-7-16(15)20-21-17)18(23)14-6-5-12-3-2-4-13(12)9-14/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,19,21)
InChIKeySCRSJHQSUZXBIQ-UHFFFAOYSA-N
XLogP2.21
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone (CID 56778303) is 2,3-dihydro-1H-inden-5-yl-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone is CNc1cc2c(nn1)CCN(C(=O)c1ccc3c(c1)CCC3)C2.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone?
The InChIKey is SCRSJHQSUZXBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-19-17-10-15-11-22(8-7-16(15)20-21-17)18(23)14-6-5-12-3-2-4-13(12)9-14/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,19,21).
What are the key properties of 2,3-dihydro-1H-inden-5-yl-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone?
2,3-dihydro-1H-inden-5-yl-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone has a molecular weight of 308.38 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone is sourced from PubChem (CID 56778303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).