2-(2,3-dihydro-1H-inden-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one

C17H19N3O — CID 103218042

IUPAC2-(2,3-dihydro-1H-inden-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
SMILESO=c1cc2c(nn1Cc1ccc3c(c1)CCC3)CCCN2
InChIInChI=1S/C17H19N3O/c21-17-10-16-15(5-2-8-18-16)19-20(17)11-12-6-7-13-3-1-4-14(13)9-12/h6-7,9-10,18H,1-5,8,11H2
InChIKeySCXNGFXQDUHHPC-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.14
Rot. Bonds2

About 2-(2,3-dihydro-1H-inden-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one

2-(2,3-dihydro-1H-inden-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one (PubChem CID 103218042) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
PubChem CID103218042
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
SMILESO=c1cc2c(nn1Cc1ccc3c(c1)CCC3)CCCN2
InChIInChI=1S/C17H19N3O/c21-17-10-16-15(5-2-8-18-16)19-20(17)11-12-6-7-13-3-1-4-14(13)9-12/h6-7,9-10,18H,1-5,8,11H2
InChIKeySCXNGFXQDUHHPC-UHFFFAOYSA-N
XLogP2.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one (CID 103218042) is 2-(2,3-dihydro-1H-inden-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one is O=c1cc2c(nn1Cc1ccc3c(c1)CCC3)CCCN2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one?
The InChIKey is SCXNGFXQDUHHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17-10-16-15(5-2-8-18-16)19-20(17)11-12-6-7-13-3-1-4-14(13)9-12/h6-7,9-10,18H,1-5,8,11H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one?
2-(2,3-dihydro-1H-inden-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one has a molecular weight of 281.36 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one is sourced from PubChem (CID 103218042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).