5,13-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene

C12H15N3 — CID 170017695

IUPAC5,13-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene
SMILESCc1ccnc2[nH]c3c(c12)CCN(C)C3
InChIInChI=1S/C12H15N3/c1-8-3-5-13-12-11(8)9-4-6-15(2)7-10(9)14-12/h3,5H,4,6-7H2,1-2H3,(H,13,14)
InChIKeyDBIOPJJRVXNYPM-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.86
Rot. Bonds

About 5,13-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene

5,13-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene (PubChem CID 170017695) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 5,13-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene.

Molecular Properties

Compound Name5,13-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene
PubChem CID170017695
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name5,13-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene
SMILESCc1ccnc2[nH]c3c(c12)CCN(C)C3
InChIInChI=1S/C12H15N3/c1-8-3-5-13-12-11(8)9-4-6-15(2)7-10(9)14-12/h3,5H,4,6-7H2,1-2H3,(H,13,14)
InChIKeyDBIOPJJRVXNYPM-UHFFFAOYSA-N
XLogP1.86
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,13-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,13-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene?
The IUPAC name of 5,13-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene (CID 170017695) is 5,13-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene.
What is the SMILES notation for 5,13-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene?
The canonical SMILES for 5,13-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene is Cc1ccnc2[nH]c3c(c12)CCN(C)C3.
What is the InChIKey of 5,13-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene?
The InChIKey is DBIOPJJRVXNYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-8-3-5-13-12-11(8)9-4-6-15(2)7-10(9)14-12/h3,5H,4,6-7H2,1-2H3,(H,13,14).
What are the key properties of 5,13-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene?
5,13-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene has a molecular weight of 201.27 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,13-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene is sourced from PubChem (CID 170017695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).