N-cyclopropyl-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide

C12H14N4O3 — CID 53004694

IUPACN-cyclopropyl-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
SMILESCc1nn(CC(=O)NC2CC2)c(=O)c2noc(C)c12
InChIInChI=1S/C12H14N4O3/c1-6-10-7(2)19-15-11(10)12(18)16(14-6)5-9(17)13-8-3-4-8/h8H,3-5H2,1-2H3,(H,13,17)
InChIKeyWOPDXGFTVKKREJ-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.28
Rot. Bonds3

About N-cyclopropyl-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide

N-cyclopropyl-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide (PubChem CID 53004694) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
PubChem CID53004694
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC NameN-cyclopropyl-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
SMILESCc1nn(CC(=O)NC2CC2)c(=O)c2noc(C)c12
InChIInChI=1S/C12H14N4O3/c1-6-10-7(2)19-15-11(10)12(18)16(14-6)5-9(17)13-8-3-4-8/h8H,3-5H2,1-2H3,(H,13,17)
InChIKeyWOPDXGFTVKKREJ-UHFFFAOYSA-N
XLogP0.28
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide (CID 53004694) is N-cyclopropyl-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide is Cc1nn(CC(=O)NC2CC2)c(=O)c2noc(C)c12.
What is the InChIKey of N-cyclopropyl-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide?
The InChIKey is WOPDXGFTVKKREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-6-10-7(2)19-15-11(10)12(18)16(14-6)5-9(17)13-8-3-4-8/h8H,3-5H2,1-2H3,(H,13,17).
What are the key properties of N-cyclopropyl-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide?
N-cyclopropyl-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide has a molecular weight of 262.27 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide is sourced from PubChem (CID 53004694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).