5-(dimethylamino)-2-[(3-methyl-4-pyridinyl)methyl]pyridazin-3-one

C13H16N4O — CID 29088974

IUPAC5-(dimethylamino)-2-[(3-methyl-4-pyridinyl)methyl]pyridazin-3-one
SMILESCc1cnccc1Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C13H16N4O/c1-10-7-14-5-4-11(10)9-17-13(18)6-12(8-15-17)16(2)3/h4-8H,9H2,1-3H3
InChIKeyNPNWLKBFKPMDJL-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.06
Rot. Bonds3

About 5-(dimethylamino)-2-[(3-methyl-4-pyridinyl)methyl]pyridazin-3-one

5-(dimethylamino)-2-[(3-methyl-4-pyridinyl)methyl]pyridazin-3-one (PubChem CID 29088974) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[(3-methyl-4-pyridinyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[(3-methyl-4-pyridinyl)methyl]pyridazin-3-one
PubChem CID29088974
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-(dimethylamino)-2-[(3-methyl-4-pyridinyl)methyl]pyridazin-3-one
SMILESCc1cnccc1Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C13H16N4O/c1-10-7-14-5-4-11(10)9-17-13(18)6-12(8-15-17)16(2)3/h4-8H,9H2,1-3H3
InChIKeyNPNWLKBFKPMDJL-UHFFFAOYSA-N
XLogP1.06
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[(3-methyl-4-pyridinyl)methyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[(3-methyl-4-pyridinyl)methyl]pyridazin-3-one (CID 29088974) is 5-(dimethylamino)-2-[(3-methyl-4-pyridinyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[(3-methyl-4-pyridinyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[(3-methyl-4-pyridinyl)methyl]pyridazin-3-one is Cc1cnccc1Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 5-(dimethylamino)-2-[(3-methyl-4-pyridinyl)methyl]pyridazin-3-one?
The InChIKey is NPNWLKBFKPMDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-7-14-5-4-11(10)9-17-13(18)6-12(8-15-17)16(2)3/h4-8H,9H2,1-3H3.
What are the key properties of 5-(dimethylamino)-2-[(3-methyl-4-pyridinyl)methyl]pyridazin-3-one?
5-(dimethylamino)-2-[(3-methyl-4-pyridinyl)methyl]pyridazin-3-one has a molecular weight of 244.30 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[(3-methyl-4-pyridinyl)methyl]pyridazin-3-one is sourced from PubChem (CID 29088974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).