8-(furan-2-yl)-12,12-dimethyl-11-oxa-4,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraen-3-amine

C15H16N4O2 — CID 664452

IUPAC8-(furan-2-yl)-12,12-dimethyl-11-oxa-4,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraen-3-amine
SMILESCC1(C)Cc2c(c(-c3ccco3)nc3n[nH]c(N)c23)CO1
InChIInChI=1S/C15H16N4O2/c1-15(2)6-8-9(7-21-15)12(10-4-3-5-20-10)17-14-11(8)13(16)18-19-14/h3-5H,6-7H2,1-2H3,(H3,16,17,18,19)
InChIKeyWCBAYCWLLAUONJ-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.65
Rot. Bonds1

About 8-(furan-2-yl)-12,12-dimethyl-11-oxa-4,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraen-3-amine

8-(furan-2-yl)-12,12-dimethyl-11-oxa-4,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraen-3-amine (PubChem CID 664452) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 8-(furan-2-yl)-12,12-dimethyl-11-oxa-4,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraen-3-amine.

Molecular Properties

Compound Name8-(furan-2-yl)-12,12-dimethyl-11-oxa-4,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraen-3-amine
PubChem CID664452
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name8-(furan-2-yl)-12,12-dimethyl-11-oxa-4,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraen-3-amine
SMILESCC1(C)Cc2c(c(-c3ccco3)nc3n[nH]c(N)c23)CO1
InChIInChI=1S/C15H16N4O2/c1-15(2)6-8-9(7-21-15)12(10-4-3-5-20-10)17-14-11(8)13(16)18-19-14/h3-5H,6-7H2,1-2H3,(H3,16,17,18,19)
InChIKeyWCBAYCWLLAUONJ-UHFFFAOYSA-N
XLogP2.65
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-(furan-2-yl)-12,12-dimethyl-11-oxa-4,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraen-3-amine with MolForge

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Related Compounds

N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 6539611
N-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 6539592
1-benzyl-N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidine-3-carboxamide
CID 6539615
3-(Furan-2-yl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 1243399
4-(Furan-2-yl)-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 9944894
2-Furan-2-yl-7-(4-methoxy-phenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10125605
2-Furan-2-yl-7-o-tolyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10193030
2-(Furan-2-yl)-7-(3-(4-methoxyphenyl)propyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10193594
2-Furan-2-yl-7-p-tolyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10214838
2-(Furan-2-YL)-7-phenyl-[1,2,4]triazolo[1,5-C]pyrimidin-5-amine
CID 10236339
2-Furan-2-yl-7-m-tolyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10286225
6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine
CID 11952560

Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-yl)-12,12-dimethyl-11-oxa-4,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraen-3-amine?
The IUPAC name of 8-(furan-2-yl)-12,12-dimethyl-11-oxa-4,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraen-3-amine (CID 664452) is 8-(furan-2-yl)-12,12-dimethyl-11-oxa-4,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraen-3-amine.
What is the SMILES notation for 8-(furan-2-yl)-12,12-dimethyl-11-oxa-4,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraen-3-amine?
The canonical SMILES for 8-(furan-2-yl)-12,12-dimethyl-11-oxa-4,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraen-3-amine is CC1(C)Cc2c(c(-c3ccco3)nc3n[nH]c(N)c23)CO1.
What is the InChIKey of 8-(furan-2-yl)-12,12-dimethyl-11-oxa-4,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraen-3-amine?
The InChIKey is WCBAYCWLLAUONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-15(2)6-8-9(7-21-15)12(10-4-3-5-20-10)17-14-11(8)13(16)18-19-14/h3-5H,6-7H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 8-(furan-2-yl)-12,12-dimethyl-11-oxa-4,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraen-3-amine?
8-(furan-2-yl)-12,12-dimethyl-11-oxa-4,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraen-3-amine has a molecular weight of 284.32 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-yl)-12,12-dimethyl-11-oxa-4,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraen-3-amine is sourced from PubChem (CID 664452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).