3,11-dimethyl-2,4,6,10-tetrazatricyclo[7.3.1.05,13]trideca-1(13),2,4,9,11-pentaene

C11H12N4 — CID 170726880

IUPAC3,11-dimethyl-2,4,6,10-tetrazatricyclo[7.3.1.05,13]trideca-1(13),2,4,9,11-pentaene
SMILESCc1cc2nc(C)nc3c2c(n1)CCN3
InChIInChI=1S/C11H12N4/c1-6-5-9-10-8(13-6)3-4-12-11(10)15-7(2)14-9/h5H,3-4H2,1-2H3,(H,12,14,15)
InChIKeyJJLSDUCDZLGYKR-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.61
Rot. Bonds

About 3,11-dimethyl-2,4,6,10-tetrazatricyclo[7.3.1.05,13]trideca-1(13),2,4,9,11-pentaene

3,11-dimethyl-2,4,6,10-tetrazatricyclo[7.3.1.05,13]trideca-1(13),2,4,9,11-pentaene (PubChem CID 170726880) has the molecular formula C11H12N4 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3,11-dimethyl-2,4,6,10-tetrazatricyclo[7.3.1.05,13]trideca-1(13),2,4,9,11-pentaene.

Molecular Properties

Compound Name3,11-dimethyl-2,4,6,10-tetrazatricyclo[7.3.1.05,13]trideca-1(13),2,4,9,11-pentaene
PubChem CID170726880
Molecular FormulaC11H12N4
Molecular Weight200.24 g/mol
Exact Mass200.11
IUPAC Name3,11-dimethyl-2,4,6,10-tetrazatricyclo[7.3.1.05,13]trideca-1(13),2,4,9,11-pentaene
SMILESCc1cc2nc(C)nc3c2c(n1)CCN3
InChIInChI=1S/C11H12N4/c1-6-5-9-10-8(13-6)3-4-12-11(10)15-7(2)14-9/h5H,3-4H2,1-2H3,(H,12,14,15)
InChIKeyJJLSDUCDZLGYKR-UHFFFAOYSA-N
XLogP1.61
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,11-dimethyl-2,4,6,10-tetrazatricyclo[7.3.1.05,13]trideca-1(13),2,4,9,11-pentaene?
The IUPAC name of 3,11-dimethyl-2,4,6,10-tetrazatricyclo[7.3.1.05,13]trideca-1(13),2,4,9,11-pentaene (CID 170726880) is 3,11-dimethyl-2,4,6,10-tetrazatricyclo[7.3.1.05,13]trideca-1(13),2,4,9,11-pentaene.
What is the SMILES notation for 3,11-dimethyl-2,4,6,10-tetrazatricyclo[7.3.1.05,13]trideca-1(13),2,4,9,11-pentaene?
The canonical SMILES for 3,11-dimethyl-2,4,6,10-tetrazatricyclo[7.3.1.05,13]trideca-1(13),2,4,9,11-pentaene is Cc1cc2nc(C)nc3c2c(n1)CCN3.
What is the InChIKey of 3,11-dimethyl-2,4,6,10-tetrazatricyclo[7.3.1.05,13]trideca-1(13),2,4,9,11-pentaene?
The InChIKey is JJLSDUCDZLGYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-6-5-9-10-8(13-6)3-4-12-11(10)15-7(2)14-9/h5H,3-4H2,1-2H3,(H,12,14,15).
What are the key properties of 3,11-dimethyl-2,4,6,10-tetrazatricyclo[7.3.1.05,13]trideca-1(13),2,4,9,11-pentaene?
3,11-dimethyl-2,4,6,10-tetrazatricyclo[7.3.1.05,13]trideca-1(13),2,4,9,11-pentaene has a molecular weight of 200.24 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11-dimethyl-2,4,6,10-tetrazatricyclo[7.3.1.05,13]trideca-1(13),2,4,9,11-pentaene is sourced from PubChem (CID 170726880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).