8-methyl-5,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,9,12-pentaene

C12H13N3 — CID 143271783

IUPAC8-methyl-5,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,9,12-pentaene
SMILESCN1C2=CCN=CC=C2C2C=CN=CC21
InChIInChI=1S/C12H13N3/c1-15-11-4-7-13-5-2-9(11)10-3-6-14-8-12(10)15/h2-6,8,10,12H,7H2,1H3
InChIKeyIDJMWCUTPJWPPP-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.41
Rot. Bonds

About 8-methyl-5,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,9,12-pentaene

8-methyl-5,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,9,12-pentaene (PubChem CID 143271783) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 8-methyl-5,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,9,12-pentaene.

Molecular Properties

Compound Name8-methyl-5,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,9,12-pentaene
PubChem CID143271783
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name8-methyl-5,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,9,12-pentaene
SMILESCN1C2=CCN=CC=C2C2C=CN=CC21
InChIInChI=1S/C12H13N3/c1-15-11-4-7-13-5-2-9(11)10-3-6-14-8-12(10)15/h2-6,8,10,12H,7H2,1H3
InChIKeyIDJMWCUTPJWPPP-UHFFFAOYSA-N
XLogP1.41
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,9,12-pentaene?
The IUPAC name of 8-methyl-5,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,9,12-pentaene (CID 143271783) is 8-methyl-5,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,9,12-pentaene.
What is the SMILES notation for 8-methyl-5,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,9,12-pentaene?
The canonical SMILES for 8-methyl-5,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,9,12-pentaene is CN1C2=CCN=CC=C2C2C=CN=CC21.
What is the InChIKey of 8-methyl-5,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,9,12-pentaene?
The InChIKey is IDJMWCUTPJWPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-15-11-4-7-13-5-2-9(11)10-3-6-14-8-12(10)15/h2-6,8,10,12H,7H2,1H3.
What are the key properties of 8-methyl-5,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,9,12-pentaene?
8-methyl-5,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,9,12-pentaene has a molecular weight of 199.26 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,9,12-pentaene is sourced from PubChem (CID 143271783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).