2-[(5-aminothiadiazol-4-yl)methyl]-5-methylpyridazin-3-one

C8H9N5OS — CID 106549048

IUPAC2-[(5-aminothiadiazol-4-yl)methyl]-5-methylpyridazin-3-one
SMILESCc1cnn(Cc2nnsc2N)c(=O)c1
InChIInChI=1S/C8H9N5OS/c1-5-2-7(14)13(10-3-5)4-6-8(9)15-12-11-6/h2-3H,4,9H2,1H3
InChIKeyIEZIVRFHFSHMFQ-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.03
Rot. Bonds2

About 2-[(5-aminothiadiazol-4-yl)methyl]-5-methylpyridazin-3-one

2-[(5-aminothiadiazol-4-yl)methyl]-5-methylpyridazin-3-one (PubChem CID 106549048) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is 2-[(5-aminothiadiazol-4-yl)methyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[(5-aminothiadiazol-4-yl)methyl]-5-methylpyridazin-3-one
PubChem CID106549048
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC Name2-[(5-aminothiadiazol-4-yl)methyl]-5-methylpyridazin-3-one
SMILESCc1cnn(Cc2nnsc2N)c(=O)c1
InChIInChI=1S/C8H9N5OS/c1-5-2-7(14)13(10-3-5)4-6-8(9)15-12-11-6/h2-3H,4,9H2,1H3
InChIKeyIEZIVRFHFSHMFQ-UHFFFAOYSA-N
XLogP0.03
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminothiadiazol-4-yl)methyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[(5-aminothiadiazol-4-yl)methyl]-5-methylpyridazin-3-one (CID 106549048) is 2-[(5-aminothiadiazol-4-yl)methyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[(5-aminothiadiazol-4-yl)methyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[(5-aminothiadiazol-4-yl)methyl]-5-methylpyridazin-3-one is Cc1cnn(Cc2nnsc2N)c(=O)c1.
What is the InChIKey of 2-[(5-aminothiadiazol-4-yl)methyl]-5-methylpyridazin-3-one?
The InChIKey is IEZIVRFHFSHMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c1-5-2-7(14)13(10-3-5)4-6-8(9)15-12-11-6/h2-3H,4,9H2,1H3.
What are the key properties of 2-[(5-aminothiadiazol-4-yl)methyl]-5-methylpyridazin-3-one?
2-[(5-aminothiadiazol-4-yl)methyl]-5-methylpyridazin-3-one has a molecular weight of 223.26 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminothiadiazol-4-yl)methyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106549048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).