3,4,9-trimethyl-3,5,9-triazatricyclo[6.3.1.02,6]dodeca-2(6),4-diene

C12H19N3 — CID 58374952

IUPAC3,4,9-trimethyl-3,5,9-triazatricyclo[6.3.1.02,6]dodeca-2(6),4-diene
SMILESCc1nc2c(n1C)C1CCN(C)C(C2)C1
InChIInChI=1S/C12H19N3/c1-8-13-11-7-10-6-9(4-5-14(10)2)12(11)15(8)3/h9-10H,4-7H2,1-3H3
InChIKeyJIFQELBCLFFWJV-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.46
Rot. Bonds

About 3,4,9-trimethyl-3,5,9-triazatricyclo[6.3.1.02,6]dodeca-2(6),4-diene

3,4,9-trimethyl-3,5,9-triazatricyclo[6.3.1.02,6]dodeca-2(6),4-diene (PubChem CID 58374952) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3,4,9-trimethyl-3,5,9-triazatricyclo[6.3.1.02,6]dodeca-2(6),4-diene.

Molecular Properties

Compound Name3,4,9-trimethyl-3,5,9-triazatricyclo[6.3.1.02,6]dodeca-2(6),4-diene
PubChem CID58374952
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name3,4,9-trimethyl-3,5,9-triazatricyclo[6.3.1.02,6]dodeca-2(6),4-diene
SMILESCc1nc2c(n1C)C1CCN(C)C(C2)C1
InChIInChI=1S/C12H19N3/c1-8-13-11-7-10-6-9(4-5-14(10)2)12(11)15(8)3/h9-10H,4-7H2,1-3H3
InChIKeyJIFQELBCLFFWJV-UHFFFAOYSA-N
XLogP1.46
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,9-trimethyl-3,5,9-triazatricyclo[6.3.1.02,6]dodeca-2(6),4-diene?
The IUPAC name of 3,4,9-trimethyl-3,5,9-triazatricyclo[6.3.1.02,6]dodeca-2(6),4-diene (CID 58374952) is 3,4,9-trimethyl-3,5,9-triazatricyclo[6.3.1.02,6]dodeca-2(6),4-diene.
What is the SMILES notation for 3,4,9-trimethyl-3,5,9-triazatricyclo[6.3.1.02,6]dodeca-2(6),4-diene?
The canonical SMILES for 3,4,9-trimethyl-3,5,9-triazatricyclo[6.3.1.02,6]dodeca-2(6),4-diene is Cc1nc2c(n1C)C1CCN(C)C(C2)C1.
What is the InChIKey of 3,4,9-trimethyl-3,5,9-triazatricyclo[6.3.1.02,6]dodeca-2(6),4-diene?
The InChIKey is JIFQELBCLFFWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-8-13-11-7-10-6-9(4-5-14(10)2)12(11)15(8)3/h9-10H,4-7H2,1-3H3.
What are the key properties of 3,4,9-trimethyl-3,5,9-triazatricyclo[6.3.1.02,6]dodeca-2(6),4-diene?
3,4,9-trimethyl-3,5,9-triazatricyclo[6.3.1.02,6]dodeca-2(6),4-diene has a molecular weight of 205.30 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,9-trimethyl-3,5,9-triazatricyclo[6.3.1.02,6]dodeca-2(6),4-diene is sourced from PubChem (CID 58374952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).