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

C9H12ClN3O2S — CID 117105150

IUPAC3-chloro-6-(1,1-dioxothian-4-yl)pyridazin-4-amine
SMILESNc1cc(C2CCS(=O)(=O)CC2)nnc1Cl
InChIInChI=1S/C9H12ClN3O2S/c10-9-7(11)5-8(12-13-9)6-1-3-16(14,15)4-2-6/h5-6H,1-4H2,(H2,11,12)
InChIKeyRBNOJANWSLHXSY-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.00
Rot. Bonds1

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

3-chloro-6-(1,1-dioxothian-4-yl)pyridazin-4-amine (PubChem CID 117105150) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is 3-chloro-6-(1,1-dioxothian-4-yl)pyridazin-4-amine.

Molecular Properties

Compound Name3-chloro-6-(1,1-dioxothian-4-yl)pyridazin-4-amine
PubChem CID117105150
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name3-chloro-6-(1,1-dioxothian-4-yl)pyridazin-4-amine
SMILESNc1cc(C2CCS(=O)(=O)CC2)nnc1Cl
InChIInChI=1S/C9H12ClN3O2S/c10-9-7(11)5-8(12-13-9)6-1-3-16(14,15)4-2-6/h5-6H,1-4H2,(H2,11,12)
InChIKeyRBNOJANWSLHXSY-UHFFFAOYSA-N
XLogP1.00
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-Chloropyridazin-3-yl)thiolane 1,1-dioxide
CID 117105009
6-(1,1-Dioxothiolan-3-yl)pyridazin-4-amine
CID 117105010
3-Chloro-6-(1,1-dioxothiolan-3-yl)pyridazin-4-amine
CID 117105013
3-(5,6-Dichloropyridazin-3-yl)thiolane 1,1-dioxide
CID 117105017
3-Chloro-6-(thiolan-3-yl)pyridazin-4-amine
CID 117105029
4-(6-Chloropyridazin-3-yl)thiane 1,1-dioxide
CID 117105146
6-(1,1-Dioxothian-4-yl)pyridazin-4-amine
CID 117105147
6-(1,1-Dioxothian-4-yl)pyridazine-3,4-diamine
CID 117105148
4-(5-Chloropyridazin-3-yl)thiane 1,1-dioxide
CID 117105151
4-Chloro-6-(1,1-dioxothian-4-yl)pyridazin-3-amine
CID 117105152
4-(5,6-Dichloropyridazin-3-yl)thiane 1,1-dioxide
CID 117105154
4-(5-Bromo-6-chloropyridazin-3-yl)thiane 1,1-dioxide
CID 117105158

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(1,1-dioxothian-4-yl)pyridazin-4-amine?
The IUPAC name of 3-chloro-6-(1,1-dioxothian-4-yl)pyridazin-4-amine (CID 117105150) is 3-chloro-6-(1,1-dioxothian-4-yl)pyridazin-4-amine.
What is the SMILES notation for 3-chloro-6-(1,1-dioxothian-4-yl)pyridazin-4-amine?
The canonical SMILES for 3-chloro-6-(1,1-dioxothian-4-yl)pyridazin-4-amine is Nc1cc(C2CCS(=O)(=O)CC2)nnc1Cl.
What is the InChIKey of 3-chloro-6-(1,1-dioxothian-4-yl)pyridazin-4-amine?
The InChIKey is RBNOJANWSLHXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c10-9-7(11)5-8(12-13-9)6-1-3-16(14,15)4-2-6/h5-6H,1-4H2,(H2,11,12).
What are the key properties of 3-chloro-6-(1,1-dioxothian-4-yl)pyridazin-4-amine?
3-chloro-6-(1,1-dioxothian-4-yl)pyridazin-4-amine has a molecular weight of 261.73 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(1,1-dioxothian-4-yl)pyridazin-4-amine is sourced from PubChem (CID 117105150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).