2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-piperidin-1-ylpyridazin-3-one

C13H18N6OS — CID 114397245

IUPAC2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
SMILESCNc1snnc1Cn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C13H18N6OS/c1-14-13-11(16-17-21-13)9-19-12(20)7-10(8-15-19)18-5-3-2-4-6-18/h7-8,14H,2-6,9H2,1H3
InChIKeyPGGXAHMHILHWBR-UHFFFAOYSA-N
MW306.40 g/mol
LogP1.18
Rot. Bonds4

About 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-piperidin-1-ylpyridazin-3-one

2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-piperidin-1-ylpyridazin-3-one (PubChem CID 114397245) has the molecular formula C13H18N6OS and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
PubChem CID114397245
Molecular FormulaC13H18N6OS
Molecular Weight306.40 g/mol
Exact Mass306.13
IUPAC Name2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
SMILESCNc1snnc1Cn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C13H18N6OS/c1-14-13-11(16-17-21-13)9-19-12(20)7-10(8-15-19)18-5-3-2-4-6-18/h7-8,14H,2-6,9H2,1H3
InChIKeyPGGXAHMHILHWBR-UHFFFAOYSA-N
XLogP1.18
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-piperidin-1-ylpyridazin-3-one (CID 114397245) is 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-piperidin-1-ylpyridazin-3-one is CNc1snnc1Cn1ncc(N2CCCCC2)cc1=O.
What is the InChIKey of 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is PGGXAHMHILHWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-14-13-11(16-17-21-13)9-19-12(20)7-10(8-15-19)18-5-3-2-4-6-18/h7-8,14H,2-6,9H2,1H3.
What are the key properties of 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-piperidin-1-ylpyridazin-3-one?
2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 306.40 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 114397245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).