6-cyclopropyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one

C17H23N5O2S — CID 126865497

IUPAC6-cyclopropyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCOCc1nsc(N2CCC(Cn3nc(C4CC4)ccc3=O)CC2)n1
InChIInChI=1S/C17H23N5O2S/c1-24-11-15-18-17(25-20-15)21-8-6-12(7-9-21)10-22-16(23)5-4-14(19-22)13-2-3-13/h4-5,12-13H,2-3,6-11H2,1H3
InChIKeyQDXVLGJMSLKMFJ-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.04
Rot. Bonds6

About 6-cyclopropyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126865497) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126865497
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name6-cyclopropyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCOCc1nsc(N2CCC(Cn3nc(C4CC4)ccc3=O)CC2)n1
InChIInChI=1S/C17H23N5O2S/c1-24-11-15-18-17(25-20-15)21-8-6-12(7-9-21)10-22-16(23)5-4-14(19-22)13-2-3-13/h4-5,12-13H,2-3,6-11H2,1H3
InChIKeyQDXVLGJMSLKMFJ-UHFFFAOYSA-N
XLogP2.04
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one (CID 126865497) is 6-cyclopropyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one is COCc1nsc(N2CCC(Cn3nc(C4CC4)ccc3=O)CC2)n1.
What is the InChIKey of 6-cyclopropyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is QDXVLGJMSLKMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-24-11-15-18-17(25-20-15)21-8-6-12(7-9-21)10-22-16(23)5-4-14(19-22)13-2-3-13/h4-5,12-13H,2-3,6-11H2,1H3.
What are the key properties of 6-cyclopropyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 361.47 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126865497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).