6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

C13H17N5O2S — CID 154738032

IUPAC6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCCOc1nnc(CN2CCc3nn(C)c(=O)cc3C2)s1
InChIInChI=1S/C13H17N5O2S/c1-3-20-13-15-14-11(21-13)8-18-5-4-10-9(7-18)6-12(19)17(2)16-10/h6H,3-5,7-8H2,1-2H3
InChIKeyIFLHYXQHCVGNLM-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.59
Rot. Bonds4

About 6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (PubChem CID 154738032) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
PubChem CID154738032
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCCOc1nnc(CN2CCc3nn(C)c(=O)cc3C2)s1
InChIInChI=1S/C13H17N5O2S/c1-3-20-13-15-14-11(21-13)8-18-5-4-10-9(7-18)6-12(19)17(2)16-10/h6H,3-5,7-8H2,1-2H3
InChIKeyIFLHYXQHCVGNLM-UHFFFAOYSA-N
XLogP0.59
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 71926448
6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-ethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 72119699
2-({1-[(5-Methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl}methyl)-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126862922
2-(2-{4-[(5-Methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl}ethyl)-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126914994
6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 167942905

Frequently Asked Questions

What is the IUPAC name of 6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (CID 154738032) is 6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is CCOc1nnc(CN2CCc3nn(C)c(=O)cc3C2)s1.
What is the InChIKey of 6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The InChIKey is IFLHYXQHCVGNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-3-20-13-15-14-11(21-13)8-18-5-4-10-9(7-18)6-12(19)17(2)16-10/h6H,3-5,7-8H2,1-2H3.
What are the key properties of 6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one has a molecular weight of 307.38 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 154738032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).