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

C11H13F3N6O — CID 146128451

IUPAC2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)-6-(trifluoromethyl)morpholine
SMILESCC1(C)CN(c2ccc3nnnn3n2)CC(C(F)(F)F)O1
InChIInChI=1S/C11H13F3N6O/c1-10(2)6-19(5-7(21-10)11(12,13)14)9-4-3-8-15-17-18-20(8)16-9/h3-4,7H,5-6H2,1-2H3
InChIKeyZSBCXFNFBPHIFW-UHFFFAOYSA-N
MW302.26 g/mol
LogP1.07
Rot. Bonds1

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

2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)-6-(trifluoromethyl)morpholine (PubChem CID 146128451) has the molecular formula C11H13F3N6O and a molecular weight of 302.26 g/mol. Its IUPAC name is 2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)-6-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)-6-(trifluoromethyl)morpholine
PubChem CID146128451
Molecular FormulaC11H13F3N6O
Molecular Weight302.26 g/mol
Exact Mass302.11
IUPAC Name2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)-6-(trifluoromethyl)morpholine
SMILESCC1(C)CN(c2ccc3nnnn3n2)CC(C(F)(F)F)O1
InChIInChI=1S/C11H13F3N6O/c1-10(2)6-19(5-7(21-10)11(12,13)14)9-4-3-8-15-17-18-20(8)16-9/h3-4,7H,5-6H2,1-2H3
InChIKeyZSBCXFNFBPHIFW-UHFFFAOYSA-N
XLogP1.07
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)-6-(trifluoromethyl)morpholine?
The IUPAC name of 2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)-6-(trifluoromethyl)morpholine (CID 146128451) is 2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)-6-(trifluoromethyl)morpholine.
What is the SMILES notation for 2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)-6-(trifluoromethyl)morpholine?
The canonical SMILES for 2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)-6-(trifluoromethyl)morpholine is CC1(C)CN(c2ccc3nnnn3n2)CC(C(F)(F)F)O1.
What is the InChIKey of 2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)-6-(trifluoromethyl)morpholine?
The InChIKey is ZSBCXFNFBPHIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6O/c1-10(2)6-19(5-7(21-10)11(12,13)14)9-4-3-8-15-17-18-20(8)16-9/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)-6-(trifluoromethyl)morpholine?
2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)-6-(trifluoromethyl)morpholine has a molecular weight of 302.26 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)-6-(trifluoromethyl)morpholine is sourced from PubChem (CID 146128451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).