4,11-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene

C11H14N4 — CID 162388570

IUPAC4,11-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene
SMILESCc1ncc2[nH]c3c(c2n1)CCN(C)C3
InChIInChI=1S/C11H14N4/c1-7-12-5-9-11(13-7)8-3-4-15(2)6-10(8)14-9/h5,14H,3-4,6H2,1-2H3
InChIKeyPSIATDLIPOAZTP-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.25
Rot. Bonds

About 4,11-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene

4,11-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene (PubChem CID 162388570) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 4,11-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene.

Molecular Properties

Compound Name4,11-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene
PubChem CID162388570
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name4,11-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene
SMILESCc1ncc2[nH]c3c(c2n1)CCN(C)C3
InChIInChI=1S/C11H14N4/c1-7-12-5-9-11(13-7)8-3-4-15(2)6-10(8)14-9/h5,14H,3-4,6H2,1-2H3
InChIKeyPSIATDLIPOAZTP-UHFFFAOYSA-N
XLogP1.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,11-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene?
The IUPAC name of 4,11-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene (CID 162388570) is 4,11-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene.
What is the SMILES notation for 4,11-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene?
The canonical SMILES for 4,11-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene is Cc1ncc2[nH]c3c(c2n1)CCN(C)C3.
What is the InChIKey of 4,11-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene?
The InChIKey is PSIATDLIPOAZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-7-12-5-9-11(13-7)8-3-4-15(2)6-10(8)14-9/h5,14H,3-4,6H2,1-2H3.
What are the key properties of 4,11-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene?
4,11-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene has a molecular weight of 202.26 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene is sourced from PubChem (CID 162388570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).