9-propyl-5,7-diazatricyclo[4.4.0.02,4]deca-1(6),7,9-triene

C11H14N2 — CID 143712062

IUPAC9-propyl-5,7-diazatricyclo[4.4.0.02,4]deca-1(6),7,9-triene
SMILESCCCc1cnc2c(c1)C1CC1N2
InChIInChI=1S/C11H14N2/c1-2-3-7-4-9-8-5-10(8)13-11(9)12-6-7/h4,6,8,10H,2-3,5H2,1H3,(H,12,13)
InChIKeyRXZVCHHGSDYFSB-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.32
Rot. Bonds2

About 9-propyl-5,7-diazatricyclo[4.4.0.02,4]deca-1(6),7,9-triene

9-propyl-5,7-diazatricyclo[4.4.0.02,4]deca-1(6),7,9-triene (PubChem CID 143712062) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 9-propyl-5,7-diazatricyclo[4.4.0.02,4]deca-1(6),7,9-triene.

Molecular Properties

Compound Name9-propyl-5,7-diazatricyclo[4.4.0.02,4]deca-1(6),7,9-triene
PubChem CID143712062
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name9-propyl-5,7-diazatricyclo[4.4.0.02,4]deca-1(6),7,9-triene
SMILESCCCc1cnc2c(c1)C1CC1N2
InChIInChI=1S/C11H14N2/c1-2-3-7-4-9-8-5-10(8)13-11(9)12-6-7/h4,6,8,10H,2-3,5H2,1H3,(H,12,13)
InChIKeyRXZVCHHGSDYFSB-UHFFFAOYSA-N
XLogP2.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-propyl-5,7-diazatricyclo[4.4.0.02,4]deca-1(6),7,9-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-propyl-5,7-diazatricyclo[4.4.0.02,4]deca-1(6),7,9-triene?
The IUPAC name of 9-propyl-5,7-diazatricyclo[4.4.0.02,4]deca-1(6),7,9-triene (CID 143712062) is 9-propyl-5,7-diazatricyclo[4.4.0.02,4]deca-1(6),7,9-triene.
What is the SMILES notation for 9-propyl-5,7-diazatricyclo[4.4.0.02,4]deca-1(6),7,9-triene?
The canonical SMILES for 9-propyl-5,7-diazatricyclo[4.4.0.02,4]deca-1(6),7,9-triene is CCCc1cnc2c(c1)C1CC1N2.
What is the InChIKey of 9-propyl-5,7-diazatricyclo[4.4.0.02,4]deca-1(6),7,9-triene?
The InChIKey is RXZVCHHGSDYFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-3-7-4-9-8-5-10(8)13-11(9)12-6-7/h4,6,8,10H,2-3,5H2,1H3,(H,12,13).
What are the key properties of 9-propyl-5,7-diazatricyclo[4.4.0.02,4]deca-1(6),7,9-triene?
9-propyl-5,7-diazatricyclo[4.4.0.02,4]deca-1(6),7,9-triene has a molecular weight of 174.25 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propyl-5,7-diazatricyclo[4.4.0.02,4]deca-1(6),7,9-triene is sourced from PubChem (CID 143712062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).