7-[(3R)-1-methylpiperidin-3-yl]-3H-pyrido[3,4-d]pyridazin-4-one

C13H16N4O — CID 175931075

IUPAC7-[(3R)-1-methylpiperidin-3-yl]-3H-pyrido[3,4-d]pyridazin-4-one
SMILESCN1CCC[C@@H](c2cc3cn[nH]c(=O)c3cn2)C1
InChIInChI=1S/C13H16N4O/c1-17-4-2-3-9(8-17)12-5-10-6-15-16-13(18)11(10)7-14-12/h5-7,9H,2-4,8H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyOIZZYJGDOIXWKJ-SECBINFHSA-N
MW244.30 g/mol
LogP1.13
Rot. Bonds1

About 7-[(3R)-1-methylpiperidin-3-yl]-3H-pyrido[3,4-d]pyridazin-4-one

7-[(3R)-1-methylpiperidin-3-yl]-3H-pyrido[3,4-d]pyridazin-4-one (PubChem CID 175931075) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 7-[(3R)-1-methylpiperidin-3-yl]-3H-pyrido[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name7-[(3R)-1-methylpiperidin-3-yl]-3H-pyrido[3,4-d]pyridazin-4-one
PubChem CID175931075
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name7-[(3R)-1-methylpiperidin-3-yl]-3H-pyrido[3,4-d]pyridazin-4-one
SMILESCN1CCC[C@@H](c2cc3cn[nH]c(=O)c3cn2)C1
InChIInChI=1S/C13H16N4O/c1-17-4-2-3-9(8-17)12-5-10-6-15-16-13(18)11(10)7-14-12/h5-7,9H,2-4,8H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyOIZZYJGDOIXWKJ-SECBINFHSA-N
XLogP1.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-1-methylpiperidin-3-yl]-3H-pyrido[3,4-d]pyridazin-4-one?
The IUPAC name of 7-[(3R)-1-methylpiperidin-3-yl]-3H-pyrido[3,4-d]pyridazin-4-one (CID 175931075) is 7-[(3R)-1-methylpiperidin-3-yl]-3H-pyrido[3,4-d]pyridazin-4-one.
What is the SMILES notation for 7-[(3R)-1-methylpiperidin-3-yl]-3H-pyrido[3,4-d]pyridazin-4-one?
The canonical SMILES for 7-[(3R)-1-methylpiperidin-3-yl]-3H-pyrido[3,4-d]pyridazin-4-one is CN1CCC[C@@H](c2cc3cn[nH]c(=O)c3cn2)C1.
What is the InChIKey of 7-[(3R)-1-methylpiperidin-3-yl]-3H-pyrido[3,4-d]pyridazin-4-one?
The InChIKey is OIZZYJGDOIXWKJ-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17-4-2-3-9(8-17)12-5-10-6-15-16-13(18)11(10)7-14-12/h5-7,9H,2-4,8H2,1H3,(H,16,18)/t9-/m1/s1.
What are the key properties of 7-[(3R)-1-methylpiperidin-3-yl]-3H-pyrido[3,4-d]pyridazin-4-one?
7-[(3R)-1-methylpiperidin-3-yl]-3H-pyrido[3,4-d]pyridazin-4-one has a molecular weight of 244.30 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R)-1-methylpiperidin-3-yl]-3H-pyrido[3,4-d]pyridazin-4-one is sourced from PubChem (CID 175931075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).