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Ethane;3-(10-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclobutan-1-amine

C15H22N4O — CID 162754090

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethane;3-(10-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclobutan-1-amine
SMILESCC.NC1CC(N2CCOc3cnc4[nH]ccc4c32)C1
InChIInChI=1S/C13H16N4O.C2H6/c14-8-5-9(6-8)17-3-4-18-11-7-16-13-10(12(11)17)1-2-15-13;1-2/h1-2,7-9H,3-6,14H2,(H,15,16);1-2H3
InChIKeyGNZNKOOTRGYIFN-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.28
Rot. Bonds1

About Ethane;3-(10-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclobutan-1-amine

Ethane;3-(10-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclobutan-1-amine (PubChem CID 162754090) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is ethane;3-(10-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclobutan-1-amine.

Molecular Properties

Compound NameEthane;3-(10-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclobutan-1-amine
PubChem CID162754090
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Nameethane;3-(10-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclobutan-1-amine
SMILESCC.NC1CC(N2CCOc3cnc4[nH]ccc4c32)C1
InChIInChI=1S/C13H16N4O.C2H6/c14-8-5-9(6-8)17-3-4-18-11-7-16-13-10(12(11)17)1-2-15-13;1-2/h1-2,7-9H,3-6,14H2,(H,15,16);1-2H3
InChIKeyGNZNKOOTRGYIFN-UHFFFAOYSA-N
XLogP2.28
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Ethane;3-(10-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclobutan-1-amine?
The IUPAC name of Ethane;3-(10-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclobutan-1-amine (CID 162754090) is ethane;3-(10-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclobutan-1-amine.
What is the SMILES notation for Ethane;3-(10-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclobutan-1-amine?
The canonical SMILES for Ethane;3-(10-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclobutan-1-amine is CC.NC1CC(N2CCOc3cnc4[nH]ccc4c32)C1.
What is the InChIKey of Ethane;3-(10-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclobutan-1-amine?
The InChIKey is GNZNKOOTRGYIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O.C2H6/c14-8-5-9(6-8)17-3-4-18-11-7-16-13-10(12(11)17)1-2-15-13;1-2/h1-2,7-9H,3-6,14H2,(H,15,16);1-2H3.
What are the key properties of Ethane;3-(10-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclobutan-1-amine?
Ethane;3-(10-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclobutan-1-amine has a molecular weight of 274.37 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Ethane;3-(10-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclobutan-1-amine is sourced from PubChem (CID 162754090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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