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

C14H20N4 — CID 68869552

IUPAC4,10-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,11-tetraene
SMILESCCCN1C=CC(C)C2=C1N1CN(C)C=C1C=N2
InChIInChI=1S/C14H20N4/c1-4-6-17-7-5-11(2)13-14(17)18-10-16(3)9-12(18)8-15-13/h5,7-9,11H,4,6,10H2,1-3H3
InChIKeyUEEBKFTVRNZEAR-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.16
Rot. Bonds2

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

4,10-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,11-tetraene (PubChem CID 68869552) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4,10-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,11-tetraene.

Molecular Properties

Compound Name4,10-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,11-tetraene
PubChem CID68869552
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4,10-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,11-tetraene
SMILESCCCN1C=CC(C)C2=C1N1CN(C)C=C1C=N2
InChIInChI=1S/C14H20N4/c1-4-6-17-7-5-11(2)13-14(17)18-10-16(3)9-12(18)8-15-13/h5,7-9,11H,4,6,10H2,1-3H3
InChIKeyUEEBKFTVRNZEAR-UHFFFAOYSA-N
XLogP2.16
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,10,11-Trimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,11-tetraene
CID 68869460
4,10-Dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene
CID 68869550

Frequently Asked Questions

What is the IUPAC name of 4,10-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,11-tetraene?
The IUPAC name of 4,10-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,11-tetraene (CID 68869552) is 4,10-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,11-tetraene.
What is the SMILES notation for 4,10-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,11-tetraene?
The canonical SMILES for 4,10-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,11-tetraene is CCCN1C=CC(C)C2=C1N1CN(C)C=C1C=N2.
What is the InChIKey of 4,10-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,11-tetraene?
The InChIKey is UEEBKFTVRNZEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-6-17-7-5-11(2)13-14(17)18-10-16(3)9-12(18)8-15-13/h5,7-9,11H,4,6,10H2,1-3H3.
What are the key properties of 4,10-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,11-tetraene?
4,10-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,11-tetraene has a molecular weight of 244.34 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,11-tetraene is sourced from PubChem (CID 68869552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).