3-[(6-methoxy-3-pyridinyl)amino]pyridazine-4-carbothioamide

C11H11N5OS — CID 80510972

IUPAC3-[(6-methoxy-3-pyridinyl)amino]pyridazine-4-carbothioamide
SMILESCOc1ccc(Nc2nnccc2C(N)=S)cn1
InChIInChI=1S/C11H11N5OS/c1-17-9-3-2-7(6-13-9)15-11-8(10(12)18)4-5-14-16-11/h2-6H,1H3,(H2,12,18)(H,15,16)
InChIKeyXOORTDQAPCGFRN-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.26
Rot. Bonds4

About 3-[(6-methoxy-3-pyridinyl)amino]pyridazine-4-carbothioamide

3-[(6-methoxy-3-pyridinyl)amino]pyridazine-4-carbothioamide (PubChem CID 80510972) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is 3-[(6-methoxy-3-pyridinyl)amino]pyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-[(6-methoxy-3-pyridinyl)amino]pyridazine-4-carbothioamide
PubChem CID80510972
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC Name3-[(6-methoxy-3-pyridinyl)amino]pyridazine-4-carbothioamide
SMILESCOc1ccc(Nc2nnccc2C(N)=S)cn1
InChIInChI=1S/C11H11N5OS/c1-17-9-3-2-7(6-13-9)15-11-8(10(12)18)4-5-14-16-11/h2-6H,1H3,(H2,12,18)(H,15,16)
InChIKeyXOORTDQAPCGFRN-UHFFFAOYSA-N
XLogP1.26
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(6-methoxy-3-pyridinyl)amino]pyridazine-4-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-methoxy-3-pyridinyl)thiourea
CID 43148919
3-[3-(dimethylamino)-4-methylanilino]pyridazine-4-carbothioamide
CID 115377757
3-(2-fluoro-5-methoxyanilino)pyridazine-4-carbothioamide
CID 80511551
methyl 5-amino-2-[(6-methoxy-3-pyridinyl)amino]benzoate
CID 61306530
N-(6-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-amine
CID 140513842
(6-methoxy-3-pyridinyl)hydrazine;hydrochloride
CID 23090203
1-N-(6-methoxy-3-pyridinyl)-6-methylisoquinoline-1,5-diamine
CID 167052643
3-[(6-methoxy-3-pyridinyl)amino]-1-methylpyrazin-2-one
CID 134160490
3-(2-fluoroanilino)pyridazine-4-carbothioamide
CID 80510994
3-carbamothioyl-N-(6-methoxy-3-pyridinyl)benzamide
CID 24707094
3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbothioamide
CID 80511264
2-methoxy-5-(sulfamoylamino)pyridine
CID 112573201

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-3-pyridinyl)amino]pyridazine-4-carbothioamide?
The IUPAC name of 3-[(6-methoxy-3-pyridinyl)amino]pyridazine-4-carbothioamide (CID 80510972) is 3-[(6-methoxy-3-pyridinyl)amino]pyridazine-4-carbothioamide.
What is the SMILES notation for 3-[(6-methoxy-3-pyridinyl)amino]pyridazine-4-carbothioamide?
The canonical SMILES for 3-[(6-methoxy-3-pyridinyl)amino]pyridazine-4-carbothioamide is COc1ccc(Nc2nnccc2C(N)=S)cn1.
What is the InChIKey of 3-[(6-methoxy-3-pyridinyl)amino]pyridazine-4-carbothioamide?
The InChIKey is XOORTDQAPCGFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c1-17-9-3-2-7(6-13-9)15-11-8(10(12)18)4-5-14-16-11/h2-6H,1H3,(H2,12,18)(H,15,16).
What are the key properties of 3-[(6-methoxy-3-pyridinyl)amino]pyridazine-4-carbothioamide?
3-[(6-methoxy-3-pyridinyl)amino]pyridazine-4-carbothioamide has a molecular weight of 261.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-3-pyridinyl)amino]pyridazine-4-carbothioamide is sourced from PubChem (CID 80510972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).