4,10,11-trimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene

C15H22N4 — CID 68869459

IUPAC4,10,11-trimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene
SMILESCCCN1CC(C)=C(C)C2=C1N1CN(C)C=C1C=N2
InChIInChI=1S/C15H22N4/c1-5-6-18-8-11(2)12(3)14-15(18)19-10-17(4)9-13(19)7-16-14/h7,9H,5-6,8,10H2,1-4H3
InChIKeyXOOAZQAOOLCWLV-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.35
Rot. Bonds2

About 4,10,11-trimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene

4,10,11-trimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene (PubChem CID 68869459) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4,10,11-trimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene.

Molecular Properties

Compound Name4,10,11-trimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene
PubChem CID68869459
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4,10,11-trimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene
SMILESCCCN1CC(C)=C(C)C2=C1N1CN(C)C=C1C=N2
InChIInChI=1S/C15H22N4/c1-5-6-18-8-11(2)12(3)14-15(18)19-10-17(4)9-13(19)7-16-14/h7,9H,5-6,8,10H2,1-4H3
InChIKeyXOOAZQAOOLCWLV-UHFFFAOYSA-N
XLogP2.35
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,10,11-trimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene?
The IUPAC name of 4,10,11-trimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene (CID 68869459) is 4,10,11-trimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene.
What is the SMILES notation for 4,10,11-trimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene?
The canonical SMILES for 4,10,11-trimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene is CCCN1CC(C)=C(C)C2=C1N1CN(C)C=C1C=N2.
What is the InChIKey of 4,10,11-trimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene?
The InChIKey is XOOAZQAOOLCWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-5-6-18-8-11(2)12(3)14-15(18)19-10-17(4)9-13(19)7-16-14/h7,9H,5-6,8,10H2,1-4H3.
What are the key properties of 4,10,11-trimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene?
4,10,11-trimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene has a molecular weight of 258.37 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10,11-trimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene is sourced from PubChem (CID 68869459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).