ethane;8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene

C9H13N3 — CID 91529153

IUPACethane;8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene
SMILESCC.Cn1n2c3ccccc3n12
InChIInChI=1S/C7H7N3.C2H6/c1-8-9-6-4-2-3-5-7(6)10(8)9;1-2/h2-5H,1H3;1-2H3
InChIKeyJSFOPSDERDXYHM-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.99
Rot. Bonds

About ethane;8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene

ethane;8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene (PubChem CID 91529153) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is ethane;8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene.

Molecular Properties

Compound Nameethane;8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene
PubChem CID91529153
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Nameethane;8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene
SMILESCC.Cn1n2c3ccccc3n12
InChIInChI=1S/C7H7N3.C2H6/c1-8-9-6-4-2-3-5-7(6)10(8)9;1-2/h2-5H,1H3;1-2H3
InChIKeyJSFOPSDERDXYHM-UHFFFAOYSA-N
XLogP1.99
TPSA13.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene?
The IUPAC name of ethane;8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene (CID 91529153) is ethane;8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene.
What is the SMILES notation for ethane;8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene?
The canonical SMILES for ethane;8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene is CC.Cn1n2c3ccccc3n12.
What is the InChIKey of ethane;8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene?
The InChIKey is JSFOPSDERDXYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.C2H6/c1-8-9-6-4-2-3-5-7(6)10(8)9;1-2/h2-5H,1H3;1-2H3.
What are the key properties of ethane;8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene?
ethane;8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene has a molecular weight of 163.22 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene is sourced from PubChem (CID 91529153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).