4,5-diamino-1H-pyridazine-6-thione

C4H6N4S — CID 12705219

IUPAC4,5-diamino-1H-pyridazine-6-thione
SMILESNc1cn[nH]c(=S)c1N
InChIInChI=1S/C4H6N4S/c5-2-1-7-8-4(9)3(2)6/h1H,(H2,6,7)(H3,5,8,9)
InChIKeyVQSYPAJEIPFVSF-UHFFFAOYSA-N
MW142.19 g/mol
LogP0.30
Rot. Bonds

About 4,5-diamino-1H-pyridazine-6-thione

4,5-diamino-1H-pyridazine-6-thione (PubChem CID 12705219) has the molecular formula C4H6N4S and a molecular weight of 142.19 g/mol. Its IUPAC name is 4,5-diamino-1H-pyridazine-6-thione.

Molecular Properties

Compound Name4,5-diamino-1H-pyridazine-6-thione
PubChem CID12705219
Molecular FormulaC4H6N4S
Molecular Weight142.19 g/mol
Exact Mass142.03
IUPAC Name4,5-diamino-1H-pyridazine-6-thione
SMILESNc1cn[nH]c(=S)c1N
InChIInChI=1S/C4H6N4S/c5-2-1-7-8-4(9)3(2)6/h1H,(H2,6,7)(H3,5,8,9)
InChIKeyVQSYPAJEIPFVSF-UHFFFAOYSA-N
XLogP0.30
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.19
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1H-pyrazol-4-amine;dihydrochloride
CID 50998688
5-(2-chloroethyl)-1H-pyrazol-4-amine
CID 90105424
5-prop-1-enyl-1H-pyrazol-4-amine
CID 90117424
5-pyrimidin-5-yl-1H-pyrazol-4-amine
CID 96634021
4-amino-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 63107047
5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-pyrazol-4-amine
CID 174193718
(4-amino-1H-pyrazol-5-yl)-methylsulfonylmethanone
CID 117218916
7-methyl-2H-phthalazine-1-thione
CID 143747305
5-(5-methyl-1H-imidazol-2-yl)-1H-pyrazol-4-amine
CID 143500421
1H-furo[3,2-d]pyrazol-4-amine
CID 96637932
1H-indazol-4-amine;dihydrochloride
CID 18779330
5-(5-methyl-3-pyridinyl)-1H-pyrazol-4-amine
CID 165495741

Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-1H-pyridazine-6-thione?
The IUPAC name of 4,5-diamino-1H-pyridazine-6-thione (CID 12705219) is 4,5-diamino-1H-pyridazine-6-thione.
What is the SMILES notation for 4,5-diamino-1H-pyridazine-6-thione?
The canonical SMILES for 4,5-diamino-1H-pyridazine-6-thione is Nc1cn[nH]c(=S)c1N.
What is the InChIKey of 4,5-diamino-1H-pyridazine-6-thione?
The InChIKey is VQSYPAJEIPFVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4S/c5-2-1-7-8-4(9)3(2)6/h1H,(H2,6,7)(H3,5,8,9).
What are the key properties of 4,5-diamino-1H-pyridazine-6-thione?
4,5-diamino-1H-pyridazine-6-thione has a molecular weight of 142.19 g/mol, XLogP of 0.30, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-1H-pyridazine-6-thione is sourced from PubChem (CID 12705219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).