5-methyl-2,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,6,10,13-pentaene

C12H13N3 — CID 146532291

IUPAC5-methyl-2,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,6,10,13-pentaene
SMILESCN1C=CN2C1=NCC1=C2C=CCC=C1
InChIInChI=1S/C12H13N3/c1-14-7-8-15-11-6-4-2-3-5-10(11)9-13-12(14)15/h3-8H,2,9H2,1H3
InChIKeySGONZWYDRZAOTC-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.84
Rot. Bonds

About 5-methyl-2,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,6,10,13-pentaene

5-methyl-2,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,6,10,13-pentaene (PubChem CID 146532291) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 5-methyl-2,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,6,10,13-pentaene.

Molecular Properties

Compound Name5-methyl-2,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,6,10,13-pentaene
PubChem CID146532291
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name5-methyl-2,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,6,10,13-pentaene
SMILESCN1C=CN2C1=NCC1=C2C=CCC=C1
InChIInChI=1S/C12H13N3/c1-14-7-8-15-11-6-4-2-3-5-10(11)9-13-12(14)15/h3-8H,2,9H2,1H3
InChIKeySGONZWYDRZAOTC-UHFFFAOYSA-N
XLogP1.84
TPSA18.84 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 ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,6,10,13-pentaene?
The IUPAC name of 5-methyl-2,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,6,10,13-pentaene (CID 146532291) is 5-methyl-2,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,6,10,13-pentaene.
What is the SMILES notation for 5-methyl-2,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,6,10,13-pentaene?
The canonical SMILES for 5-methyl-2,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,6,10,13-pentaene is CN1C=CN2C1=NCC1=C2C=CCC=C1.
What is the InChIKey of 5-methyl-2,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,6,10,13-pentaene?
The InChIKey is SGONZWYDRZAOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-14-7-8-15-11-6-4-2-3-5-10(11)9-13-12(14)15/h3-8H,2,9H2,1H3.
What are the key properties of 5-methyl-2,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,6,10,13-pentaene?
5-methyl-2,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,6,10,13-pentaene has a molecular weight of 199.26 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,6,10,13-pentaene is sourced from PubChem (CID 146532291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).