1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-diol

C8H8N4O2 — CID 91443931

IUPAC1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-diol
SMILESOC1c2nccn2C(O)c2nccn21
InChIInChI=1S/C8H8N4O2/c13-7-5-9-1-3-11(5)8(14)6-10-2-4-12(6)7/h1-4,7-8,13-14H
InChIKeyMTXCYEDFZVNPRO-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.53
Rot. Bonds

About 1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-diol

1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-diol (PubChem CID 91443931) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-diol.

Molecular Properties

Compound Name1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-diol
PubChem CID91443931
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-diol
SMILESOC1c2nccn2C(O)c2nccn21
InChIInChI=1S/C8H8N4O2/c13-7-5-9-1-3-11(5)8(14)6-10-2-4-12(6)7/h1-4,7-8,13-14H
InChIKeyMTXCYEDFZVNPRO-UHFFFAOYSA-N
XLogP-0.53
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-diol 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 1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-diol?
The IUPAC name of 1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-diol (CID 91443931) is 1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-diol.
What is the SMILES notation for 1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-diol?
The canonical SMILES for 1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-diol is OC1c2nccn2C(O)c2nccn21.
What is the InChIKey of 1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-diol?
The InChIKey is MTXCYEDFZVNPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c13-7-5-9-1-3-11(5)8(14)6-10-2-4-12(6)7/h1-4,7-8,13-14H.
What are the key properties of 1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-diol?
1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-diol has a molecular weight of 192.18 g/mol, XLogP of -0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-diol is sourced from PubChem (CID 91443931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).