2-[(5-chlorothiadiazol-4-yl)methyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one

C12H14ClN5O2S — CID 114395616

IUPAC2-[(5-chlorothiadiazol-4-yl)methyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
SMILESCOC1CCN(c2cnn(Cc3nnsc3Cl)c(=O)c2)C1
InChIInChI=1S/C12H14ClN5O2S/c1-20-9-2-3-17(6-9)8-4-11(19)18(14-5-8)7-10-12(13)21-16-15-10/h4-5,9H,2-3,6-7H2,1H3
InChIKeyXZMNAMKRQMDDME-UHFFFAOYSA-N
MW327.80 g/mol
LogP1.02
Rot. Bonds4

About 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one

2-[(5-chlorothiadiazol-4-yl)methyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one (PubChem CID 114395616) has the molecular formula C12H14ClN5O2S and a molecular weight of 327.80 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
PubChem CID114395616
Molecular FormulaC12H14ClN5O2S
Molecular Weight327.80 g/mol
Exact Mass327.06
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
SMILESCOC1CCN(c2cnn(Cc3nnsc3Cl)c(=O)c2)C1
InChIInChI=1S/C12H14ClN5O2S/c1-20-9-2-3-17(6-9)8-4-11(19)18(14-5-8)7-10-12(13)21-16-15-10/h4-5,9H,2-3,6-7H2,1H3
InChIKeyXZMNAMKRQMDDME-UHFFFAOYSA-N
XLogP1.02
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.80
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one (CID 114395616) is 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one is COC1CCN(c2cnn(Cc3nnsc3Cl)c(=O)c2)C1.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The InChIKey is XZMNAMKRQMDDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2S/c1-20-9-2-3-17(6-9)8-4-11(19)18(14-5-8)7-10-12(13)21-16-15-10/h4-5,9H,2-3,6-7H2,1H3.
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
2-[(5-chlorothiadiazol-4-yl)methyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one has a molecular weight of 327.80 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 114395616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).