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

C15H21N5O2S — CID 71926448

IUPAC6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCCCn1nc2c(cc1=O)CN(Cc1nnc(OCC)s1)CC2
InChIInChI=1S/C15H21N5O2S/c1-3-6-20-14(21)8-11-9-19(7-5-12(11)18-20)10-13-16-17-15(23-13)22-4-2/h8H,3-7,9-10H2,1-2H3
InChIKeyLNJBNMBMBSMKFD-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.46
Rot. Bonds6

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

6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (PubChem CID 71926448) 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-propyl-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-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
PubChem CID71926448
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCCCn1nc2c(cc1=O)CN(Cc1nnc(OCC)s1)CC2
InChIInChI=1S/C15H21N5O2S/c1-3-6-20-14(21)8-11-9-19(7-5-12(11)18-20)10-13-16-17-15(23-13)22-4-2/h8H,3-7,9-10H2,1-2H3
InChIKeyLNJBNMBMBSMKFD-UHFFFAOYSA-N
XLogP1.46
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.46
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-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-({1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl}methyl)-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one
CID 126864919
2-(2-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl}ethyl)-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one
CID 126914577
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-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 154738032
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-propyl-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-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (CID 71926448) is 6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-propyl-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-propyl-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-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is CCCn1nc2c(cc1=O)CN(Cc1nnc(OCC)s1)CC2.
What is the InChIKey of 6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The InChIKey is LNJBNMBMBSMKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-3-6-20-14(21)8-11-9-19(7-5-12(11)18-20)10-13-16-17-15(23-13)22-4-2/h8H,3-7,9-10H2,1-2H3.
What are the key properties of 6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
6-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one has a molecular weight of 335.43 g/mol, XLogP of 1.46, 6 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-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 71926448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).