3,5,8,10,11-pentamethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene

C12H15N5 — CID 13338401

IUPAC3,5,8,10,11-pentamethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene
SMILESCc1nc2c3c(nc(C)n2c1C)c(C)nn3C
InChIInChI=1S/C12H15N5/c1-6-8(3)17-9(4)14-10-7(2)15-16(5)11(10)12(17)13-6/h1-5H3
InChIKeyGJCGYZHZLVGGFO-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.85
Rot. Bonds

About 3,5,8,10,11-pentamethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene

3,5,8,10,11-pentamethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene (PubChem CID 13338401) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 3,5,8,10,11-pentamethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene.

Molecular Properties

Compound Name3,5,8,10,11-pentamethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene
PubChem CID13338401
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name3,5,8,10,11-pentamethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene
SMILESCc1nc2c3c(nc(C)n2c1C)c(C)nn3C
InChIInChI=1S/C12H15N5/c1-6-8(3)17-9(4)14-10-7(2)15-16(5)11(10)12(17)13-6/h1-5H3
InChIKeyGJCGYZHZLVGGFO-UHFFFAOYSA-N
XLogP1.85
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,5,8,10,11-pentamethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5,8,10,11-pentamethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene?
The IUPAC name of 3,5,8,10,11-pentamethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene (CID 13338401) is 3,5,8,10,11-pentamethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene.
What is the SMILES notation for 3,5,8,10,11-pentamethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene?
The canonical SMILES for 3,5,8,10,11-pentamethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene is Cc1nc2c3c(nc(C)n2c1C)c(C)nn3C.
What is the InChIKey of 3,5,8,10,11-pentamethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene?
The InChIKey is GJCGYZHZLVGGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-6-8(3)17-9(4)14-10-7(2)15-16(5)11(10)12(17)13-6/h1-5H3.
What are the key properties of 3,5,8,10,11-pentamethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene?
3,5,8,10,11-pentamethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene has a molecular weight of 229.29 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,8,10,11-pentamethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene is sourced from PubChem (CID 13338401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).