ethane;3,7,10,11-tetramethyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

C14H22N4 — CID 90989932

IUPACethane;3,7,10,11-tetramethyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCC.Cc1nc2c(C)c(C)nn2c2c1CCN2C
InChIInChI=1S/C12H16N4.C2H6/c1-7-8(2)14-16-11(7)13-9(3)10-5-6-15(4)12(10)16;1-2/h5-6H2,1-4H3;1-2H3
InChIKeyDKAHMKMOQOOKDC-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.67
Rot. Bonds

About ethane;3,7,10,11-tetramethyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

ethane;3,7,10,11-tetramethyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 90989932) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is ethane;3,7,10,11-tetramethyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Nameethane;3,7,10,11-tetramethyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID90989932
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Nameethane;3,7,10,11-tetramethyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCC.Cc1nc2c(C)c(C)nn2c2c1CCN2C
InChIInChI=1S/C12H16N4.C2H6/c1-7-8(2)14-16-11(7)13-9(3)10-5-6-15(4)12(10)16;1-2/h5-6H2,1-4H3;1-2H3
InChIKeyDKAHMKMOQOOKDC-UHFFFAOYSA-N
XLogP2.67
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;3,7,10,11-tetramethyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;3,7,10,11-tetramethyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The IUPAC name of ethane;3,7,10,11-tetramethyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 90989932) is ethane;3,7,10,11-tetramethyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.
What is the SMILES notation for ethane;3,7,10,11-tetramethyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The canonical SMILES for ethane;3,7,10,11-tetramethyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is CC.Cc1nc2c(C)c(C)nn2c2c1CCN2C.
What is the InChIKey of ethane;3,7,10,11-tetramethyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is DKAHMKMOQOOKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4.C2H6/c1-7-8(2)14-16-11(7)13-9(3)10-5-6-15(4)12(10)16;1-2/h5-6H2,1-4H3;1-2H3.
What are the key properties of ethane;3,7,10,11-tetramethyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
ethane;3,7,10,11-tetramethyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 246.36 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,7,10,11-tetramethyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 90989932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).