5-(5-amino-1,3,4-thiadiazol-2-yl)-3-methyl-1H-pyridazin-6-one

C7H7N5OS — CID 82442590

IUPAC5-(5-amino-1,3,4-thiadiazol-2-yl)-3-methyl-1H-pyridazin-6-one
SMILESCc1cc(-c2nnc(N)s2)c(=O)[nH]n1
InChIInChI=1S/C7H7N5OS/c1-3-2-4(5(13)10-9-3)6-11-12-7(8)14-6/h2H,1H3,(H2,8,12)(H,10,13)
InChIKeyLPVNHPRTLPMAME-UHFFFAOYSA-N
MW209.23 g/mol
LogP0.18
Rot. Bonds1

About 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-methyl-1H-pyridazin-6-one

5-(5-amino-1,3,4-thiadiazol-2-yl)-3-methyl-1H-pyridazin-6-one (PubChem CID 82442590) has the molecular formula C7H7N5OS and a molecular weight of 209.23 g/mol. Its IUPAC name is 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(5-amino-1,3,4-thiadiazol-2-yl)-3-methyl-1H-pyridazin-6-one
PubChem CID82442590
Molecular FormulaC7H7N5OS
Molecular Weight209.23 g/mol
Exact Mass209.04
IUPAC Name5-(5-amino-1,3,4-thiadiazol-2-yl)-3-methyl-1H-pyridazin-6-one
SMILESCc1cc(-c2nnc(N)s2)c(=O)[nH]n1
InChIInChI=1S/C7H7N5OS/c1-3-2-4(5(13)10-9-3)6-11-12-7(8)14-6/h2H,1H3,(H2,8,12)(H,10,13)
InChIKeyLPVNHPRTLPMAME-UHFFFAOYSA-N
XLogP0.18
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-methyl-1H-pyridazin-6-one?
The IUPAC name of 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-methyl-1H-pyridazin-6-one (CID 82442590) is 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-methyl-1H-pyridazin-6-one?
The canonical SMILES for 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-methyl-1H-pyridazin-6-one is Cc1cc(-c2nnc(N)s2)c(=O)[nH]n1.
What is the InChIKey of 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-methyl-1H-pyridazin-6-one?
The InChIKey is LPVNHPRTLPMAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5OS/c1-3-2-4(5(13)10-9-3)6-11-12-7(8)14-6/h2H,1H3,(H2,8,12)(H,10,13).
What are the key properties of 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-methyl-1H-pyridazin-6-one?
5-(5-amino-1,3,4-thiadiazol-2-yl)-3-methyl-1H-pyridazin-6-one has a molecular weight of 209.23 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 82442590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).