12-methyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene

C11H13N3 — CID 68761682

IUPAC12-methyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
SMILESCN1CCc2[nH]c3cccnc3c2C1
InChIInChI=1S/C11H13N3/c1-14-6-4-9-8(7-14)11-10(13-9)3-2-5-12-11/h2-3,5,13H,4,6-7H2,1H3
InChIKeyMUOSBUCLEAVYRQ-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.55
Rot. Bonds

About 12-methyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene

12-methyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene (PubChem CID 68761682) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 12-methyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.

Molecular Properties

Compound Name12-methyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
PubChem CID68761682
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name12-methyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
SMILESCN1CCc2[nH]c3cccnc3c2C1
InChIInChI=1S/C11H13N3/c1-14-6-4-9-8(7-14)11-10(13-9)3-2-5-12-11/h2-3,5,13H,4,6-7H2,1H3
InChIKeyMUOSBUCLEAVYRQ-UHFFFAOYSA-N
XLogP1.55
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 12-methyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene?
The IUPAC name of 12-methyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene (CID 68761682) is 12-methyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
What is the SMILES notation for 12-methyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene?
The canonical SMILES for 12-methyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene is CN1CCc2[nH]c3cccnc3c2C1.
What is the InChIKey of 12-methyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene?
The InChIKey is MUOSBUCLEAVYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-14-6-4-9-8(7-14)11-10(13-9)3-2-5-12-11/h2-3,5,13H,4,6-7H2,1H3.
What are the key properties of 12-methyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene?
12-methyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene has a molecular weight of 187.25 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene is sourced from PubChem (CID 68761682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).