3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-4-yl)-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine

C12H10N4O3S — CID 173132118

IUPAC3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-4-yl)-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine
SMILESc1c(-c2cnnc3c2OCCO3)nnc2c1SCCO2
InChIInChI=1S/C12H10N4O3S/c1-2-18-12-10(17-1)7(6-13-15-12)8-5-9-11(16-14-8)19-3-4-20-9/h5-6H,1-4H2
InChIKeyXWZRMPSILOAPNZ-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.19
Rot. Bonds1

About 3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-4-yl)-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine

3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-4-yl)-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine (PubChem CID 173132118) has the molecular formula C12H10N4O3S and a molecular weight of 290.30 g/mol. Its IUPAC name is 3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-4-yl)-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine.

Molecular Properties

Compound Name3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-4-yl)-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine
PubChem CID173132118
Molecular FormulaC12H10N4O3S
Molecular Weight290.30 g/mol
Exact Mass290.05
IUPAC Name3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-4-yl)-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine
SMILESc1c(-c2cnnc3c2OCCO3)nnc2c1SCCO2
InChIInChI=1S/C12H10N4O3S/c1-2-18-12-10(17-1)7(6-13-15-12)8-5-9-11(16-14-8)19-3-4-20-9/h5-6H,1-4H2
InChIKeyXWZRMPSILOAPNZ-UHFFFAOYSA-N
XLogP1.19
TPSA79.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-methyl-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine;3-methyl-6,7-dihydro-5H-pyrano[2,3-c]pyridazine
CID 145497323
6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazin-3-yl trifluoromethanesulfonate
CID 71516518
[4-(6,7-dihydro-5H-pyrano[2,3-c]pyridazin-3-yl)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanol
CID 173132013
3-[7-([1,3]oxathiolo[5,4-c]pyridin-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-2-yl]-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine
CID 173174787
8-[5-(2-chloro-4-methylphenyl)thiophen-3-yl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 163424473
5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxathiine;ethane
CID 91557080
10,13,24,27-tetraoxa-3,7,16,20,29-pentathiapentacyclo[20.6.1.02,6.017,21.023,28]nonacosa-1(28),2(6),4,17(21),18,22-hexaene
CID 16741380
2-[[4-(6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazin-3-ylmethylamino)piperidin-1-yl]methyl]-5-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
CID 25030963
2,5,18,21-tetraoxa-8,15-dithiatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
CID 132837663
1-(2,3-dihydro-1,4-benzoxathiin-6-yl)ethanone
CID 178137541
N-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazin-5-amine
CID 116823927
2-methylidene-1,3-oxathiolane
CID 19853579

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-4-yl)-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine?
The IUPAC name of 3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-4-yl)-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine (CID 173132118) is 3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-4-yl)-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine.
What is the SMILES notation for 3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-4-yl)-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine?
The canonical SMILES for 3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-4-yl)-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine is c1c(-c2cnnc3c2OCCO3)nnc2c1SCCO2.
What is the InChIKey of 3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-4-yl)-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine?
The InChIKey is XWZRMPSILOAPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3S/c1-2-18-12-10(17-1)7(6-13-15-12)8-5-9-11(16-14-8)19-3-4-20-9/h5-6H,1-4H2.
What are the key properties of 3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-4-yl)-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine?
3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-4-yl)-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine has a molecular weight of 290.30 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-4-yl)-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine is sourced from PubChem (CID 173132118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).