5-(dimethylamino)-2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one

C11H16N6O — CID 72924900

IUPAC5-(dimethylamino)-2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
SMILESCc1nc(Cn2ncc(N(C)C)cc2=O)n(C)n1
InChIInChI=1S/C11H16N6O/c1-8-13-10(16(4)14-8)7-17-11(18)5-9(6-12-17)15(2)3/h5-6H,7H2,1-4H3
InChIKeyIALZHHQRUQOKEH-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.21
Rot. Bonds3

About 5-(dimethylamino)-2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one

5-(dimethylamino)-2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one (PubChem CID 72924900) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
PubChem CID72924900
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name5-(dimethylamino)-2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
SMILESCc1nc(Cn2ncc(N(C)C)cc2=O)n(C)n1
InChIInChI=1S/C11H16N6O/c1-8-13-10(16(4)14-8)7-17-11(18)5-9(6-12-17)15(2)3/h5-6H,7H2,1-4H3
InChIKeyIALZHHQRUQOKEH-UHFFFAOYSA-N
XLogP-0.21
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one (CID 72924900) is 5-(dimethylamino)-2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one is Cc1nc(Cn2ncc(N(C)C)cc2=O)n(C)n1.
What is the InChIKey of 5-(dimethylamino)-2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
The InChIKey is IALZHHQRUQOKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-8-13-10(16(4)14-8)7-17-11(18)5-9(6-12-17)15(2)3/h5-6H,7H2,1-4H3.
What are the key properties of 5-(dimethylamino)-2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
5-(dimethylamino)-2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one has a molecular weight of 248.29 g/mol, XLogP of -0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 72924900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).