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

C14H20N4 — CID 68869550

IUPAC4,10-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene
SMILESCCCN1CC=C(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/h5,8-9H,4,6-7,10H2,1-3H3
InChIKeyBFRIQDRTBPPRDB-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.96
Rot. Bonds2

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

4,10-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene (PubChem CID 68869550) 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),5,7,10-tetraene.

Molecular Properties

Compound Name4,10-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene
PubChem CID68869550
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),5,7,10-tetraene
SMILESCCCN1CC=C(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/h5,8-9H,4,6-7,10H2,1-3H3
InChIKeyBFRIQDRTBPPRDB-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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),5,7,10-tetraene?
The IUPAC name of 4,10-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene (CID 68869550) is 4,10-dimethyl-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-dimethyl-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-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene is CCCN1CC=C(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),5,7,10-tetraene?
The InChIKey is BFRIQDRTBPPRDB-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/h5,8-9H,4,6-7,10H2,1-3H3.
What are the key properties of 4,10-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene?
4,10-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene has a molecular weight of 244.34 g/mol, XLogP of 1.96, 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),5,7,10-tetraene is sourced from PubChem (CID 68869550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).