6-[[cyclopropyl(2-methylpropyl)amino]methyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

C15H22N4O2 — CID 47093449

IUPAC6-[[cyclopropyl(2-methylpropyl)amino]methyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(CN(CC(C)C)C2CC2)c(=O)c2noc(C)c12
InChIInChI=1S/C15H22N4O2/c1-9(2)7-18(12-5-6-12)8-19-15(20)14-13(10(3)16-19)11(4)21-17-14/h9,12H,5-8H2,1-4H3
InChIKeyBNRWQXANUQEQCX-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.08
Rot. Bonds5

About 6-[[cyclopropyl(2-methylpropyl)amino]methyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

6-[[cyclopropyl(2-methylpropyl)amino]methyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one (PubChem CID 47093449) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-[[cyclopropyl(2-methylpropyl)amino]methyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name6-[[cyclopropyl(2-methylpropyl)amino]methyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
PubChem CID47093449
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name6-[[cyclopropyl(2-methylpropyl)amino]methyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(CN(CC(C)C)C2CC2)c(=O)c2noc(C)c12
InChIInChI=1S/C15H22N4O2/c1-9(2)7-18(12-5-6-12)8-19-15(20)14-13(10(3)16-19)11(4)21-17-14/h9,12H,5-8H2,1-4H3
InChIKeyBNRWQXANUQEQCX-UHFFFAOYSA-N
XLogP2.08
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[cyclopropyl(2-methylpropyl)amino]methyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 6-[[cyclopropyl(2-methylpropyl)amino]methyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one (CID 47093449) is 6-[[cyclopropyl(2-methylpropyl)amino]methyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 6-[[cyclopropyl(2-methylpropyl)amino]methyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 6-[[cyclopropyl(2-methylpropyl)amino]methyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one is Cc1nn(CN(CC(C)C)C2CC2)c(=O)c2noc(C)c12.
What is the InChIKey of 6-[[cyclopropyl(2-methylpropyl)amino]methyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The InChIKey is BNRWQXANUQEQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-9(2)7-18(12-5-6-12)8-19-15(20)14-13(10(3)16-19)11(4)21-17-14/h9,12H,5-8H2,1-4H3.
What are the key properties of 6-[[cyclopropyl(2-methylpropyl)amino]methyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
6-[[cyclopropyl(2-methylpropyl)amino]methyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one has a molecular weight of 290.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[cyclopropyl(2-methylpropyl)amino]methyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 47093449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).