1H-pyridazino[4,3-c]thiazine

C6H5N3S — CID 66623936

IUPAC1H-pyridazino[4,3-c]thiazine
SMILESC1=Cc2nnccc2NS1
InChIInChI=1S/C6H5N3S/c1-3-7-8-5-2-4-10-9-6(1)5/h1-4,9H
InChIKeySHSQYQGFCMQHQP-UHFFFAOYSA-N
MW151.19 g/mol
LogP1.52
Rot. Bonds

About 1H-pyridazino[4,3-c]thiazine

1H-pyridazino[4,3-c]thiazine (PubChem CID 66623936) has the molecular formula C6H5N3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 1H-pyridazino[4,3-c]thiazine.

Molecular Properties

Compound Name1H-pyridazino[4,3-c]thiazine
PubChem CID66623936
Molecular FormulaC6H5N3S
Molecular Weight151.19 g/mol
Exact Mass151.02
IUPAC Name1H-pyridazino[4,3-c]thiazine
SMILESC1=Cc2nnccc2NS1
InChIInChI=1S/C6H5N3S/c1-3-7-8-5-2-4-10-9-6(1)5/h1-4,9H
InChIKeySHSQYQGFCMQHQP-UHFFFAOYSA-N
XLogP1.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1H-pyridazino[4,3-c]thiazine 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 1H-pyridazino[4,3-c]thiazine?
The IUPAC name of 1H-pyridazino[4,3-c]thiazine (CID 66623936) is 1H-pyridazino[4,3-c]thiazine.
What is the SMILES notation for 1H-pyridazino[4,3-c]thiazine?
The canonical SMILES for 1H-pyridazino[4,3-c]thiazine is C1=Cc2nnccc2NS1.
What is the InChIKey of 1H-pyridazino[4,3-c]thiazine?
The InChIKey is SHSQYQGFCMQHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S/c1-3-7-8-5-2-4-10-9-6(1)5/h1-4,9H.
What are the key properties of 1H-pyridazino[4,3-c]thiazine?
1H-pyridazino[4,3-c]thiazine has a molecular weight of 151.19 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyridazino[4,3-c]thiazine is sourced from PubChem (CID 66623936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).