3-methyl-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine;3-methyl-6,7-dihydro-5H-pyrano[2,3-c]pyridazine

C15H18N4O2S — CID 145497323

IUPAC3-methyl-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine;3-methyl-6,7-dihydro-5H-pyrano[2,3-c]pyridazine
SMILESCc1cc2c(nn1)OCCC2.Cc1cc2c(nn1)OCCS2
InChIInChI=1S/C8H10N2O.C7H8N2OS/c1-6-5-7-3-2-4-11-8(7)10-9-6;1-5-4-6-7(9-8-5)10-2-3-11-6/h5H,2-4H2,1H3;4H,2-3H2,1H3
InChIKeyCGLBFUKOVBQQPJ-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.38
Rot. Bonds

About 3-methyl-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine;3-methyl-6,7-dihydro-5H-pyrano[2,3-c]pyridazine

3-methyl-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine;3-methyl-6,7-dihydro-5H-pyrano[2,3-c]pyridazine (PubChem CID 145497323) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-methyl-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine;3-methyl-6,7-dihydro-5H-pyrano[2,3-c]pyridazine.

Molecular Properties

Compound Name3-methyl-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine;3-methyl-6,7-dihydro-5H-pyrano[2,3-c]pyridazine
PubChem CID145497323
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name3-methyl-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine;3-methyl-6,7-dihydro-5H-pyrano[2,3-c]pyridazine
SMILESCc1cc2c(nn1)OCCC2.Cc1cc2c(nn1)OCCS2
InChIInChI=1S/C8H10N2O.C7H8N2OS/c1-6-5-7-3-2-4-11-8(7)10-9-6;1-5-4-6-7(9-8-5)10-2-3-11-6/h5H,2-4H2,1H3;4H,2-3H2,1H3
InChIKeyCGLBFUKOVBQQPJ-UHFFFAOYSA-N
XLogP2.38
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-methyl-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine;3-methyl-6,7-dihydro-5H-pyrano[2,3-c]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;3-methyl-5,6-dihydrofuro[2,3-c]pyridazine
CID 145497461
ethane;6-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 144996832
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
6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazin-3-yl trifluoromethanesulfonate
CID 71516518
ethane;3-methyl-5,6,7,8-tetrahydrocinnoline
CID 176717878
7-methyl-3,4-dihydro-2H-pyrano[3,2-c]pyridine
CID 68926631
3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxamide
CID 141418263
3,4-dihydro-2H-chromen-8-yl-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105187281
3,4-dihydro-2H-pyrano[2,3-b]pyridine;ethane
CID 90688913
methyl 5,6-dihydrofuro[2,3-c]pyridazine-3-carboxylate
CID 178200725
[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
6-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 164877368

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine;3-methyl-6,7-dihydro-5H-pyrano[2,3-c]pyridazine?
The IUPAC name of 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) is 3-methyl-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine;3-methyl-6,7-dihydro-5H-pyrano[2,3-c]pyridazine.
What is the SMILES notation for 3-methyl-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine;3-methyl-6,7-dihydro-5H-pyrano[2,3-c]pyridazine?
The canonical SMILES for 3-methyl-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine;3-methyl-6,7-dihydro-5H-pyrano[2,3-c]pyridazine is Cc1cc2c(nn1)OCCC2.Cc1cc2c(nn1)OCCS2.
What is the InChIKey of 3-methyl-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine;3-methyl-6,7-dihydro-5H-pyrano[2,3-c]pyridazine?
The InChIKey is CGLBFUKOVBQQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.C7H8N2OS/c1-6-5-7-3-2-4-11-8(7)10-9-6;1-5-4-6-7(9-8-5)10-2-3-11-6/h5H,2-4H2,1H3;4H,2-3H2,1H3.
What are the key properties of 3-methyl-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine;3-methyl-6,7-dihydro-5H-pyrano[2,3-c]pyridazine?
3-methyl-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine;3-methyl-6,7-dihydro-5H-pyrano[2,3-c]pyridazine has a molecular weight of 318.40 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine;3-methyl-6,7-dihydro-5H-pyrano[2,3-c]pyridazine is sourced from PubChem (CID 145497323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).