6-(methoxymethyl)-2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine

C12H18N6O2 — CID 128971158

IUPAC6-(methoxymethyl)-2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine
SMILESCOCC1CN(c2ccc3nnnn3n2)CC(C)(C)O1
InChIInChI=1S/C12H18N6O2/c1-12(2)8-17(6-9(20-12)7-19-3)11-5-4-10-13-15-16-18(10)14-11/h4-5,9H,6-8H2,1-3H3
InChIKeyOAEVBFCISPVAED-UHFFFAOYSA-N
MW278.32 g/mol
LogP0.15
Rot. Bonds3

About 6-(methoxymethyl)-2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine

6-(methoxymethyl)-2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine (PubChem CID 128971158) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 6-(methoxymethyl)-2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine.

Molecular Properties

Compound Name6-(methoxymethyl)-2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine
PubChem CID128971158
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name6-(methoxymethyl)-2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine
SMILESCOCC1CN(c2ccc3nnnn3n2)CC(C)(C)O1
InChIInChI=1S/C12H18N6O2/c1-12(2)8-17(6-9(20-12)7-19-3)11-5-4-10-13-15-16-18(10)14-11/h4-5,9H,6-8H2,1-3H3
InChIKeyOAEVBFCISPVAED-UHFFFAOYSA-N
XLogP0.15
TPSA77.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine?
The IUPAC name of 6-(methoxymethyl)-2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine (CID 128971158) is 6-(methoxymethyl)-2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine.
What is the SMILES notation for 6-(methoxymethyl)-2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine?
The canonical SMILES for 6-(methoxymethyl)-2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine is COCC1CN(c2ccc3nnnn3n2)CC(C)(C)O1.
What is the InChIKey of 6-(methoxymethyl)-2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine?
The InChIKey is OAEVBFCISPVAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-12(2)8-17(6-9(20-12)7-19-3)11-5-4-10-13-15-16-18(10)14-11/h4-5,9H,6-8H2,1-3H3.
What are the key properties of 6-(methoxymethyl)-2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine?
6-(methoxymethyl)-2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine has a molecular weight of 278.32 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine is sourced from PubChem (CID 128971158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).