6-(3-hydroxypropyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

C11H17N3O2 — CID 111469789

IUPAC6-(3-hydroxypropyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCn1nc2c(cc1=O)CN(CCCO)CC2
InChIInChI=1S/C11H17N3O2/c1-13-11(16)7-9-8-14(4-2-6-15)5-3-10(9)12-13/h7,15H,2-6,8H2,1H3
InChIKeyQAZQEXORIOMVLB-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.48
Rot. Bonds3

About 6-(3-hydroxypropyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

6-(3-hydroxypropyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (PubChem CID 111469789) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-(3-hydroxypropyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name6-(3-hydroxypropyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
PubChem CID111469789
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name6-(3-hydroxypropyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCn1nc2c(cc1=O)CN(CCCO)CC2
InChIInChI=1S/C11H17N3O2/c1-13-11(16)7-9-8-14(4-2-6-15)5-3-10(9)12-13/h7,15H,2-6,8H2,1H3
InChIKeyQAZQEXORIOMVLB-UHFFFAOYSA-N
XLogP-0.48
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypropyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 6-(3-hydroxypropyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (CID 111469789) is 6-(3-hydroxypropyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 6-(3-hydroxypropyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 6-(3-hydroxypropyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is Cn1nc2c(cc1=O)CN(CCCO)CC2.
What is the InChIKey of 6-(3-hydroxypropyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The InChIKey is QAZQEXORIOMVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-13-11(16)7-9-8-14(4-2-6-15)5-3-10(9)12-13/h7,15H,2-6,8H2,1H3.
What are the key properties of 6-(3-hydroxypropyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
6-(3-hydroxypropyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one has a molecular weight of 223.28 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypropyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 111469789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).