3-(1-adamantyl)-5,5,7,7-tetramethylfuro[3,4-e][1,2,4]triazine

C19H27N3O — CID 12720232

IUPAC3-(1-adamantyl)-5,5,7,7-tetramethylfuro[3,4-e][1,2,4]triazine
SMILESCC1(C)OC(C)(C)c2nc(C34CC5CC(CC(C5)C3)C4)nnc21
InChIInChI=1S/C19H27N3O/c1-17(2)14-15(18(3,4)23-17)21-22-16(20-14)19-8-11-5-12(9-19)7-13(6-11)10-19/h11-13H,5-10H2,1-4H3
InChIKeyVBVCGWZRUZGOAT-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.84
Rot. Bonds1

About 3-(1-adamantyl)-5,5,7,7-tetramethylfuro[3,4-e][1,2,4]triazine

3-(1-adamantyl)-5,5,7,7-tetramethylfuro[3,4-e][1,2,4]triazine (PubChem CID 12720232) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 3-(1-adamantyl)-5,5,7,7-tetramethylfuro[3,4-e][1,2,4]triazine.

Molecular Properties

Compound Name3-(1-adamantyl)-5,5,7,7-tetramethylfuro[3,4-e][1,2,4]triazine
PubChem CID12720232
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name3-(1-adamantyl)-5,5,7,7-tetramethylfuro[3,4-e][1,2,4]triazine
SMILESCC1(C)OC(C)(C)c2nc(C34CC5CC(CC(C5)C3)C4)nnc21
InChIInChI=1S/C19H27N3O/c1-17(2)14-15(18(3,4)23-17)21-22-16(20-14)19-8-11-5-12(9-19)7-13(6-11)10-19/h11-13H,5-10H2,1-4H3
InChIKeyVBVCGWZRUZGOAT-UHFFFAOYSA-N
XLogP3.84
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-5,5,7,7-tetramethylfuro[3,4-e][1,2,4]triazine?
The IUPAC name of 3-(1-adamantyl)-5,5,7,7-tetramethylfuro[3,4-e][1,2,4]triazine (CID 12720232) is 3-(1-adamantyl)-5,5,7,7-tetramethylfuro[3,4-e][1,2,4]triazine.
What is the SMILES notation for 3-(1-adamantyl)-5,5,7,7-tetramethylfuro[3,4-e][1,2,4]triazine?
The canonical SMILES for 3-(1-adamantyl)-5,5,7,7-tetramethylfuro[3,4-e][1,2,4]triazine is CC1(C)OC(C)(C)c2nc(C34CC5CC(CC(C5)C3)C4)nnc21.
What is the InChIKey of 3-(1-adamantyl)-5,5,7,7-tetramethylfuro[3,4-e][1,2,4]triazine?
The InChIKey is VBVCGWZRUZGOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-17(2)14-15(18(3,4)23-17)21-22-16(20-14)19-8-11-5-12(9-19)7-13(6-11)10-19/h11-13H,5-10H2,1-4H3.
What are the key properties of 3-(1-adamantyl)-5,5,7,7-tetramethylfuro[3,4-e][1,2,4]triazine?
3-(1-adamantyl)-5,5,7,7-tetramethylfuro[3,4-e][1,2,4]triazine has a molecular weight of 313.44 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-5,5,7,7-tetramethylfuro[3,4-e][1,2,4]triazine is sourced from PubChem (CID 12720232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).