2-methyl-6-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

C16H17N5O2S — CID 95781790

IUPAC2-methyl-6-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESC[C@H](c1nnc(-c2cccs2)o1)N1CCc2nn(C)c(=O)cc2C1
InChIInChI=1S/C16H17N5O2S/c1-10(15-17-18-16(23-15)13-4-3-7-24-13)21-6-5-12-11(9-21)8-14(22)20(2)19-12/h3-4,7-8,10H,5-6,9H2,1-2H3/t10-/m1/s1
InChIKeyNRBAFBJAWJCKKN-SNVBAGLBSA-N
MW343.41 g/mol
LogP2.01
Rot. Bonds3

About 2-methyl-6-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

2-methyl-6-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (PubChem CID 95781790) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-methyl-6-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
PubChem CID95781790
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name2-methyl-6-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESC[C@H](c1nnc(-c2cccs2)o1)N1CCc2nn(C)c(=O)cc2C1
InChIInChI=1S/C16H17N5O2S/c1-10(15-17-18-16(23-15)13-4-3-7-24-13)21-6-5-12-11(9-21)8-14(22)20(2)19-12/h3-4,7-8,10H,5-6,9H2,1-2H3/t10-/m1/s1
InChIKeyNRBAFBJAWJCKKN-SNVBAGLBSA-N
XLogP2.01
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-methyl-6-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one with MolForge

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Related Compounds

4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-2-one
CID 9043036
2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 95156130
6-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 95781764
2-(3-chlorophenyl)-5-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3,4-oxadiazole
CID 46527762
1-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperidine-4-carboxamide
CID 9034758
(2R,6S)-2,6-dimethyl-4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 98684296
oxalic acid;2-[1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 17402658
thiophen-2-yl-[4-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 18197702
2-[(1R)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 41041689
(2R)-1-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol
CID 95312496
(2S)-1-[4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol
CID 95312493
2-[1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 46823064

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (CID 95781790) is 2-methyl-6-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is C[C@H](c1nnc(-c2cccs2)o1)N1CCc2nn(C)c(=O)cc2C1.
What is the InChIKey of 2-methyl-6-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The InChIKey is NRBAFBJAWJCKKN-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-10(15-17-18-16(23-15)13-4-3-7-24-13)21-6-5-12-11(9-21)8-14(22)20(2)19-12/h3-4,7-8,10H,5-6,9H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-methyl-6-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
2-methyl-6-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one has a molecular weight of 343.41 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 95781790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).