4-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-2,5,6-trimethylpyridazin-3-one

C15H21N3O2 — CID 119032856

IUPAC4-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-2,5,6-trimethylpyridazin-3-one
SMILESCc1nn(C)c(=O)c(C(=O)N2CC3C(C2)C3(C)C)c1C
InChIInChI=1S/C15H21N3O2/c1-8-9(2)16-17(5)13(19)12(8)14(20)18-6-10-11(7-18)15(10,3)4/h10-11H,6-7H2,1-5H3
InChIKeyBVVIGUNPKULLLV-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.13
Rot. Bonds1

About 4-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-2,5,6-trimethylpyridazin-3-one

4-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-2,5,6-trimethylpyridazin-3-one (PubChem CID 119032856) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-2,5,6-trimethylpyridazin-3-one.

Molecular Properties

Compound Name4-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-2,5,6-trimethylpyridazin-3-one
PubChem CID119032856
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-2,5,6-trimethylpyridazin-3-one
SMILESCc1nn(C)c(=O)c(C(=O)N2CC3C(C2)C3(C)C)c1C
InChIInChI=1S/C15H21N3O2/c1-8-9(2)16-17(5)13(19)12(8)14(20)18-6-10-11(7-18)15(10,3)4/h10-11H,6-7H2,1-5H3
InChIKeyBVVIGUNPKULLLV-UHFFFAOYSA-N
XLogP1.13
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-2,5,6-trimethylpyridazin-3-one?
The IUPAC name of 4-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-2,5,6-trimethylpyridazin-3-one (CID 119032856) is 4-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-2,5,6-trimethylpyridazin-3-one.
What is the SMILES notation for 4-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-2,5,6-trimethylpyridazin-3-one?
The canonical SMILES for 4-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-2,5,6-trimethylpyridazin-3-one is Cc1nn(C)c(=O)c(C(=O)N2CC3C(C2)C3(C)C)c1C.
What is the InChIKey of 4-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-2,5,6-trimethylpyridazin-3-one?
The InChIKey is BVVIGUNPKULLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-8-9(2)16-17(5)13(19)12(8)14(20)18-6-10-11(7-18)15(10,3)4/h10-11H,6-7H2,1-5H3.
What are the key properties of 4-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-2,5,6-trimethylpyridazin-3-one?
4-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-2,5,6-trimethylpyridazin-3-one has a molecular weight of 275.35 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-2,5,6-trimethylpyridazin-3-one is sourced from PubChem (CID 119032856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).