6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione

C10H4ClN3O2 — CID 19030664

IUPAC6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione
SMILESO=C1N=NC(=O)c2c1[nH]c1c(Cl)cccc21
InChIInChI=1S/C10H4ClN3O2/c11-5-3-1-2-4-6-8(12-7(4)5)10(16)14-13-9(6)15/h1-3,12H
InChIKeyQADVBGPKULGVAV-UHFFFAOYSA-N
MW233.61 g/mol
LogP2.57
Rot. Bonds

About 6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione

6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione (PubChem CID 19030664) has the molecular formula C10H4ClN3O2 and a molecular weight of 233.61 g/mol. Its IUPAC name is 6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione.

Molecular Properties

Compound Name6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione
PubChem CID19030664
Molecular FormulaC10H4ClN3O2
Molecular Weight233.61 g/mol
Exact Mass233.00
IUPAC Name6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione
SMILESO=C1N=NC(=O)c2c1[nH]c1c(Cl)cccc21
InChIInChI=1S/C10H4ClN3O2/c11-5-3-1-2-4-6-8(12-7(4)5)10(16)14-13-9(6)15/h1-3,12H
InChIKeyQADVBGPKULGVAV-UHFFFAOYSA-N
XLogP2.57
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.61
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione 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 6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione?
The IUPAC name of 6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione (CID 19030664) is 6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione.
What is the SMILES notation for 6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione?
The canonical SMILES for 6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione is O=C1N=NC(=O)c2c1[nH]c1c(Cl)cccc21.
What is the InChIKey of 6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione?
The InChIKey is QADVBGPKULGVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClN3O2/c11-5-3-1-2-4-6-8(12-7(4)5)10(16)14-13-9(6)15/h1-3,12H.
What are the key properties of 6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione?
6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione has a molecular weight of 233.61 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione is sourced from PubChem (CID 19030664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).