2-methyl-6-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-11-carbonyl)pyridazin-3-one

C16H16N6O2 — CID 73168949

IUPAC2-methyl-6-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-11-carbonyl)pyridazin-3-one
SMILESCc1cc2ncc3c(n2n1)CCN(C(=O)c1ccc(=O)n(C)n1)C3
InChIInChI=1S/C16H16N6O2/c1-10-7-14-17-8-11-9-21(6-5-13(11)22(14)18-10)16(24)12-3-4-15(23)20(2)19-12/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyVJMBXFJHPOEPMV-UHFFFAOYSA-N
MW324.34 g/mol
LogP0.33
Rot. Bonds1

About 2-methyl-6-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-11-carbonyl)pyridazin-3-one

2-methyl-6-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-11-carbonyl)pyridazin-3-one (PubChem CID 73168949) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-methyl-6-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-11-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-11-carbonyl)pyridazin-3-one
PubChem CID73168949
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name2-methyl-6-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-11-carbonyl)pyridazin-3-one
SMILESCc1cc2ncc3c(n2n1)CCN(C(=O)c1ccc(=O)n(C)n1)C3
InChIInChI=1S/C16H16N6O2/c1-10-7-14-17-8-11-9-21(6-5-13(11)22(14)18-10)16(24)12-3-4-15(23)20(2)19-12/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyVJMBXFJHPOEPMV-UHFFFAOYSA-N
XLogP0.33
TPSA85.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-11-carbonyl)pyridazin-3-one?
The IUPAC name of 2-methyl-6-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-11-carbonyl)pyridazin-3-one (CID 73168949) is 2-methyl-6-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-11-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-11-carbonyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-6-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-11-carbonyl)pyridazin-3-one is Cc1cc2ncc3c(n2n1)CCN(C(=O)c1ccc(=O)n(C)n1)C3.
What is the InChIKey of 2-methyl-6-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-11-carbonyl)pyridazin-3-one?
The InChIKey is VJMBXFJHPOEPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-10-7-14-17-8-11-9-21(6-5-13(11)22(14)18-10)16(24)12-3-4-15(23)20(2)19-12/h3-4,7-8H,5-6,9H2,1-2H3.
What are the key properties of 2-methyl-6-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-11-carbonyl)pyridazin-3-one?
2-methyl-6-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-11-carbonyl)pyridazin-3-one has a molecular weight of 324.34 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-11-carbonyl)pyridazin-3-one is sourced from PubChem (CID 73168949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).