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

C14H17N3 — CID 762751

IUPAC3,4,5,7,11-pentamethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
SMILESCc1cc2c3c(C)n(C)c(C)c3c(C)nn2c1
InChIInChI=1S/C14H17N3/c1-8-6-12-14-11(4)16(5)10(3)13(14)9(2)15-17(12)7-8/h6-7H,1-5H3
InChIKeyIGFNKEZMOWBEPI-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.06
Rot. Bonds

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

3,4,5,7,11-pentamethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene (PubChem CID 762751) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3,4,5,7,11-pentamethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene.

Molecular Properties

Compound Name3,4,5,7,11-pentamethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
PubChem CID762751
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3,4,5,7,11-pentamethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
SMILESCc1cc2c3c(C)n(C)c(C)c3c(C)nn2c1
InChIInChI=1S/C14H17N3/c1-8-6-12-14-11(4)16(5)10(3)13(14)9(2)15-17(12)7-8/h6-7H,1-5H3
InChIKeyIGFNKEZMOWBEPI-UHFFFAOYSA-N
XLogP3.06
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,7,11-pentamethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The IUPAC name of 3,4,5,7,11-pentamethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene (CID 762751) is 3,4,5,7,11-pentamethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene.
What is the SMILES notation for 3,4,5,7,11-pentamethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The canonical SMILES for 3,4,5,7,11-pentamethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene is Cc1cc2c3c(C)n(C)c(C)c3c(C)nn2c1.
What is the InChIKey of 3,4,5,7,11-pentamethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The InChIKey is IGFNKEZMOWBEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-8-6-12-14-11(4)16(5)10(3)13(14)9(2)15-17(12)7-8/h6-7H,1-5H3.
What are the key properties of 3,4,5,7,11-pentamethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
3,4,5,7,11-pentamethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene has a molecular weight of 227.31 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,7,11-pentamethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene is sourced from PubChem (CID 762751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).