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

C13H16N4O3 — CID 71686500

IUPACN-cyclopropyl-3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide
SMILESCc1nn(CCC(=O)NC2CC2)c(=O)c2noc(C)c12
InChIInChI=1S/C13H16N4O3/c1-7-11-8(2)20-16-12(11)13(19)17(15-7)6-5-10(18)14-9-3-4-9/h9H,3-6H2,1-2H3,(H,14,18)
InChIKeyGLLJKBYUUZDMMW-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.67
Rot. Bonds4

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

N-cyclopropyl-3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide (PubChem CID 71686500) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-cyclopropyl-3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide
PubChem CID71686500
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC NameN-cyclopropyl-3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide
SMILESCc1nn(CCC(=O)NC2CC2)c(=O)c2noc(C)c12
InChIInChI=1S/C13H16N4O3/c1-7-11-8(2)20-16-12(11)13(19)17(15-7)6-5-10(18)14-9-3-4-9/h9H,3-6H2,1-2H3,(H,14,18)
InChIKeyGLLJKBYUUZDMMW-UHFFFAOYSA-N
XLogP0.67
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide?
The IUPAC name of N-cyclopropyl-3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide (CID 71686500) is N-cyclopropyl-3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide is Cc1nn(CCC(=O)NC2CC2)c(=O)c2noc(C)c12.
What is the InChIKey of N-cyclopropyl-3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide?
The InChIKey is GLLJKBYUUZDMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-7-11-8(2)20-16-12(11)13(19)17(15-7)6-5-10(18)14-9-3-4-9/h9H,3-6H2,1-2H3,(H,14,18).
What are the key properties of N-cyclopropyl-3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide?
N-cyclopropyl-3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide has a molecular weight of 276.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide is sourced from PubChem (CID 71686500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).