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

C13H16N4O2 — CID 72863090

IUPAC5-(dimethylamino)-2-[(4-methoxy-2-pyridinyl)methyl]pyridazin-3-one
SMILESCOc1ccnc(Cn2ncc(N(C)C)cc2=O)c1
InChIInChI=1S/C13H16N4O2/c1-16(2)11-7-13(18)17(15-8-11)9-10-6-12(19-3)4-5-14-10/h4-8H,9H2,1-3H3
InChIKeyCFLLNYYEOVMPDF-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.76
Rot. Bonds4

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

5-(dimethylamino)-2-[(4-methoxy-2-pyridinyl)methyl]pyridazin-3-one (PubChem CID 72863090) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[(4-methoxy-2-pyridinyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[(4-methoxy-2-pyridinyl)methyl]pyridazin-3-one
PubChem CID72863090
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-(dimethylamino)-2-[(4-methoxy-2-pyridinyl)methyl]pyridazin-3-one
SMILESCOc1ccnc(Cn2ncc(N(C)C)cc2=O)c1
InChIInChI=1S/C13H16N4O2/c1-16(2)11-7-13(18)17(15-8-11)9-10-6-12(19-3)4-5-14-10/h4-8H,9H2,1-3H3
InChIKeyCFLLNYYEOVMPDF-UHFFFAOYSA-N
XLogP0.76
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[(4-methoxy-2-pyridinyl)methyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[(4-methoxy-2-pyridinyl)methyl]pyridazin-3-one (CID 72863090) is 5-(dimethylamino)-2-[(4-methoxy-2-pyridinyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[(4-methoxy-2-pyridinyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[(4-methoxy-2-pyridinyl)methyl]pyridazin-3-one is COc1ccnc(Cn2ncc(N(C)C)cc2=O)c1.
What is the InChIKey of 5-(dimethylamino)-2-[(4-methoxy-2-pyridinyl)methyl]pyridazin-3-one?
The InChIKey is CFLLNYYEOVMPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-16(2)11-7-13(18)17(15-8-11)9-10-6-12(19-3)4-5-14-10/h4-8H,9H2,1-3H3.
What are the key properties of 5-(dimethylamino)-2-[(4-methoxy-2-pyridinyl)methyl]pyridazin-3-one?
5-(dimethylamino)-2-[(4-methoxy-2-pyridinyl)methyl]pyridazin-3-one has a molecular weight of 260.30 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[(4-methoxy-2-pyridinyl)methyl]pyridazin-3-one is sourced from PubChem (CID 72863090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).