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

C15H21N5O2S — CID 167942905

IUPAC6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCCOc1nnc(CN2CCc3nn(C(C)C)c(=O)cc3C2)s1
InChIInChI=1S/C15H21N5O2S/c1-4-22-15-17-16-13(23-15)9-19-6-5-12-11(8-19)7-14(21)20(18-12)10(2)3/h7,10H,4-6,8-9H2,1-3H3
InChIKeyGRKDRYDPSDAREJ-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.63
Rot. Bonds5

About 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

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 (PubChem CID 167942905) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
PubChem CID167942905
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCCOc1nnc(CN2CCc3nn(C(C)C)c(=O)cc3C2)s1
InChIInChI=1S/C15H21N5O2S/c1-4-22-15-17-16-13(23-15)9-19-6-5-12-11(8-19)7-14(21)20(18-12)10(2)3/h7,10H,4-6,8-9H2,1-3H3
InChIKeyGRKDRYDPSDAREJ-UHFFFAOYSA-N
XLogP1.63
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOc1nnc(CN2CCc3nn(C(C)C)c(=O)cc3C2)s1.
What is the InChIKey of 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?
The InChIKey is GRKDRYDPSDAREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-4-22-15-17-16-13(23-15)9-19-6-5-12-11(8-19)7-14(21)20(18-12)10(2)3/h7,10H,4-6,8-9H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 335.43 g/mol, XLogP of 1.63, 5 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-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 167942905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).