6-chloro-N-(1,1-dioxothietan-3-yl)pyridazin-4-amine

C7H8ClN3O2S — CID 131209479

IUPAC6-chloro-N-(1,1-dioxothietan-3-yl)pyridazin-4-amine
SMILESO=S1(=O)CC(Nc2cnnc(Cl)c2)C1
InChIInChI=1S/C7H8ClN3O2S/c8-7-1-5(2-9-11-7)10-6-3-14(12,13)4-6/h1-2,6H,3-4H2,(H,10,11)
InChIKeyQCTOEFNQBBZKIW-UHFFFAOYSA-N
MW233.68 g/mol
LogP0.34
Rot. Bonds2

About 6-chloro-N-(1,1-dioxothietan-3-yl)pyridazin-4-amine

6-chloro-N-(1,1-dioxothietan-3-yl)pyridazin-4-amine (PubChem CID 131209479) has the molecular formula C7H8ClN3O2S and a molecular weight of 233.68 g/mol. Its IUPAC name is 6-chloro-N-(1,1-dioxothietan-3-yl)pyridazin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1,1-dioxothietan-3-yl)pyridazin-4-amine
PubChem CID131209479
Molecular FormulaC7H8ClN3O2S
Molecular Weight233.68 g/mol
Exact Mass233.00
IUPAC Name6-chloro-N-(1,1-dioxothietan-3-yl)pyridazin-4-amine
SMILESO=S1(=O)CC(Nc2cnnc(Cl)c2)C1
InChIInChI=1S/C7H8ClN3O2S/c8-7-1-5(2-9-11-7)10-6-3-14(12,13)4-6/h1-2,6H,3-4H2,(H,10,11)
InChIKeyQCTOEFNQBBZKIW-UHFFFAOYSA-N
XLogP0.34
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.68
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-ethylpyridazin-4-amine
CID 88853962
4-(6-chloropyridazin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 114478102
N-[4-(6-chloropyridazin-4-yl)phenyl]piperidin-4-amine
CID 169001693
2-N-(1,1-dioxothietan-3-yl)pyridine-2,5-diamine
CID 130948244
2-N-(1,1-dioxothietan-3-yl)-1,3-thiazole-2,5-diamine
CID 130816194
5-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-3-amine
CID 115656925
5-N-(1,1-dioxothiolan-3-yl)-3-N-methylpyridine-3,5-diamine
CID 104532676
3-chloro-5-cyclopropylpyridazine
CID 118611458
5-bromo-N-(1,1-dioxothietan-3-yl)-1,3,4-thiadiazol-2-amine
CID 130921490
3-(5-chloropyridazin-3-yl)thiolane 1,1-dioxide
CID 117105014
4-[(1,1-dioxothian-3-yl)amino]pyridine-2-carboxamide
CID 63923173
1,1-dioxo-N-(2,4,6-trichlorophenyl)thiolan-3-amine
CID 43126505

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,1-dioxothietan-3-yl)pyridazin-4-amine?
The IUPAC name of 6-chloro-N-(1,1-dioxothietan-3-yl)pyridazin-4-amine (CID 131209479) is 6-chloro-N-(1,1-dioxothietan-3-yl)pyridazin-4-amine.
What is the SMILES notation for 6-chloro-N-(1,1-dioxothietan-3-yl)pyridazin-4-amine?
The canonical SMILES for 6-chloro-N-(1,1-dioxothietan-3-yl)pyridazin-4-amine is O=S1(=O)CC(Nc2cnnc(Cl)c2)C1.
What is the InChIKey of 6-chloro-N-(1,1-dioxothietan-3-yl)pyridazin-4-amine?
The InChIKey is QCTOEFNQBBZKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O2S/c8-7-1-5(2-9-11-7)10-6-3-14(12,13)4-6/h1-2,6H,3-4H2,(H,10,11).
What are the key properties of 6-chloro-N-(1,1-dioxothietan-3-yl)pyridazin-4-amine?
6-chloro-N-(1,1-dioxothietan-3-yl)pyridazin-4-amine has a molecular weight of 233.68 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,1-dioxothietan-3-yl)pyridazin-4-amine is sourced from PubChem (CID 131209479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).