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

C9H12ClN3O2S — CID 117105152

IUPAC4-chloro-6-(1,1-dioxothian-4-yl)pyridazin-3-amine
SMILESNc1nnc(C2CCS(=O)(=O)CC2)cc1Cl
InChIInChI=1S/C9H12ClN3O2S/c10-7-5-8(12-13-9(7)11)6-1-3-16(14,15)4-2-6/h5-6H,1-4H2,(H2,11,13)
InChIKeyFAPHMNMMBGUKGP-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.00
Rot. Bonds1

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

4-chloro-6-(1,1-dioxothian-4-yl)pyridazin-3-amine (PubChem CID 117105152) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is 4-chloro-6-(1,1-dioxothian-4-yl)pyridazin-3-amine.

Molecular Properties

Compound Name4-chloro-6-(1,1-dioxothian-4-yl)pyridazin-3-amine
PubChem CID117105152
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name4-chloro-6-(1,1-dioxothian-4-yl)pyridazin-3-amine
SMILESNc1nnc(C2CCS(=O)(=O)CC2)cc1Cl
InChIInChI=1S/C9H12ClN3O2S/c10-7-5-8(12-13-9(7)11)6-1-3-16(14,15)4-2-6/h5-6H,1-4H2,(H2,11,13)
InChIKeyFAPHMNMMBGUKGP-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1,1-dioxothian-4-yl)pyridazin-3-amine?
The IUPAC name of 4-chloro-6-(1,1-dioxothian-4-yl)pyridazin-3-amine (CID 117105152) is 4-chloro-6-(1,1-dioxothian-4-yl)pyridazin-3-amine.
What is the SMILES notation for 4-chloro-6-(1,1-dioxothian-4-yl)pyridazin-3-amine?
The canonical SMILES for 4-chloro-6-(1,1-dioxothian-4-yl)pyridazin-3-amine is Nc1nnc(C2CCS(=O)(=O)CC2)cc1Cl.
What is the InChIKey of 4-chloro-6-(1,1-dioxothian-4-yl)pyridazin-3-amine?
The InChIKey is FAPHMNMMBGUKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c10-7-5-8(12-13-9(7)11)6-1-3-16(14,15)4-2-6/h5-6H,1-4H2,(H2,11,13).
What are the key properties of 4-chloro-6-(1,1-dioxothian-4-yl)pyridazin-3-amine?
4-chloro-6-(1,1-dioxothian-4-yl)pyridazin-3-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 4-chloro-6-(1,1-dioxothian-4-yl)pyridazin-3-amine is sourced from PubChem (CID 117105152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).