3,3,5,5-tetramethyl-4-propan-2-yl-1,4,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

C15H22N4 — CID 59596034

IUPAC3,3,5,5-tetramethyl-4-propan-2-yl-1,4,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCC(C)N1C(C)(C)c2cnc3cncn3c2C1(C)C
InChIInChI=1S/C15H22N4/c1-10(2)19-14(3,4)11-7-17-12-8-16-9-18(12)13(11)15(19,5)6/h7-10H,1-6H3
InChIKeyJXTUOUCMOGCXSC-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.92
Rot. Bonds1

About 3,3,5,5-tetramethyl-4-propan-2-yl-1,4,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

3,3,5,5-tetramethyl-4-propan-2-yl-1,4,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 59596034) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-4-propan-2-yl-1,4,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-4-propan-2-yl-1,4,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID59596034
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name3,3,5,5-tetramethyl-4-propan-2-yl-1,4,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCC(C)N1C(C)(C)c2cnc3cncn3c2C1(C)C
InChIInChI=1S/C15H22N4/c1-10(2)19-14(3,4)11-7-17-12-8-16-9-18(12)13(11)15(19,5)6/h7-10H,1-6H3
InChIKeyJXTUOUCMOGCXSC-UHFFFAOYSA-N
XLogP2.92
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,3,5,5-tetramethyl-4-propan-2-yl-1,4,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-4-propan-2-yl-1,4,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The IUPAC name of 3,3,5,5-tetramethyl-4-propan-2-yl-1,4,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 59596034) is 3,3,5,5-tetramethyl-4-propan-2-yl-1,4,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.
What is the SMILES notation for 3,3,5,5-tetramethyl-4-propan-2-yl-1,4,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The canonical SMILES for 3,3,5,5-tetramethyl-4-propan-2-yl-1,4,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is CC(C)N1C(C)(C)c2cnc3cncn3c2C1(C)C.
What is the InChIKey of 3,3,5,5-tetramethyl-4-propan-2-yl-1,4,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is JXTUOUCMOGCXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-10(2)19-14(3,4)11-7-17-12-8-16-9-18(12)13(11)15(19,5)6/h7-10H,1-6H3.
What are the key properties of 3,3,5,5-tetramethyl-4-propan-2-yl-1,4,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
3,3,5,5-tetramethyl-4-propan-2-yl-1,4,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 258.37 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-4-propan-2-yl-1,4,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 59596034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).