3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,9-pentaene

C7H5N5 — CID 150132733

IUPAC3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,9-pentaene
SMILESC1=c2c(ncc3n[nH]nc23)=NC1
InChIInChI=1S/C7H5N5/c1-2-8-7-4(1)6-5(3-9-7)10-12-11-6/h1,3H,2H2,(H,10,11,12)
InChIKeyPBDUXXBNKNJQKH-UHFFFAOYSA-N
MW159.15 g/mol
LogP-1.23
Rot. Bonds

About 3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,9-pentaene

3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,9-pentaene (PubChem CID 150132733) has the molecular formula C7H5N5 and a molecular weight of 159.15 g/mol. Its IUPAC name is 3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,9-pentaene.

Molecular Properties

Compound Name3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,9-pentaene
PubChem CID150132733
Molecular FormulaC7H5N5
Molecular Weight159.15 g/mol
Exact Mass159.05
IUPAC Name3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,9-pentaene
SMILESC1=c2c(ncc3n[nH]nc23)=NC1
InChIInChI=1S/C7H5N5/c1-2-8-7-4(1)6-5(3-9-7)10-12-11-6/h1,3H,2H2,(H,10,11,12)
InChIKeyPBDUXXBNKNJQKH-UHFFFAOYSA-N
XLogP-1.23
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,9-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 3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,9-pentaene?
The IUPAC name of 3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,9-pentaene (CID 150132733) is 3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,9-pentaene.
What is the SMILES notation for 3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,9-pentaene?
The canonical SMILES for 3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,9-pentaene is C1=c2c(ncc3n[nH]nc23)=NC1.
What is the InChIKey of 3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,9-pentaene?
The InChIKey is PBDUXXBNKNJQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5/c1-2-8-7-4(1)6-5(3-9-7)10-12-11-6/h1,3H,2H2,(H,10,11,12).
What are the key properties of 3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,9-pentaene?
3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,9-pentaene has a molecular weight of 159.15 g/mol, XLogP of -1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,9-pentaene is sourced from PubChem (CID 150132733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).