3-propan-2-yl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene

C11H13N5 — CID 96611553

IUPAC3-propan-2-yl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene
SMILESCC(C)c1nnc2n1-c1cccnc1NC2
InChIInChI=1S/C11H13N5/c1-7(2)11-15-14-9-6-13-10-8(16(9)11)4-3-5-12-10/h3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyFBPKGERULFHJAY-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.71
Rot. Bonds1

About 3-propan-2-yl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene

3-propan-2-yl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene (PubChem CID 96611553) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-propan-2-yl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene.

Molecular Properties

Compound Name3-propan-2-yl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene
PubChem CID96611553
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name3-propan-2-yl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene
SMILESCC(C)c1nnc2n1-c1cccnc1NC2
InChIInChI=1S/C11H13N5/c1-7(2)11-15-14-9-6-13-10-8(16(9)11)4-3-5-12-10/h3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyFBPKGERULFHJAY-UHFFFAOYSA-N
XLogP1.71
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-propan-2-yl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene 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 3-propan-2-yl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene?
The IUPAC name of 3-propan-2-yl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene (CID 96611553) is 3-propan-2-yl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene.
What is the SMILES notation for 3-propan-2-yl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene?
The canonical SMILES for 3-propan-2-yl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene is CC(C)c1nnc2n1-c1cccnc1NC2.
What is the InChIKey of 3-propan-2-yl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene?
The InChIKey is FBPKGERULFHJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-7(2)11-15-14-9-6-13-10-8(16(9)11)4-3-5-12-10/h3-5,7H,6H2,1-2H3,(H,12,13).
What are the key properties of 3-propan-2-yl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene?
3-propan-2-yl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene has a molecular weight of 215.26 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene is sourced from PubChem (CID 96611553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).