2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-propan-2-ylpyridazin-3-one

C11H15N5OS — CID 82443164

IUPAC2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-propan-2-ylpyridazin-3-one
SMILESCNc1nnc(-c2cc(C(C)C)nn(C)c2=O)s1
InChIInChI=1S/C11H15N5OS/c1-6(2)8-5-7(10(17)16(4)15-8)9-13-14-11(12-3)18-9/h5-6H,1-4H3,(H,12,14)
InChIKeyGAKUQYXCINGCRS-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.46
Rot. Bonds3

About 2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-propan-2-ylpyridazin-3-one

2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-propan-2-ylpyridazin-3-one (PubChem CID 82443164) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-propan-2-ylpyridazin-3-one
PubChem CID82443164
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-propan-2-ylpyridazin-3-one
SMILESCNc1nnc(-c2cc(C(C)C)nn(C)c2=O)s1
InChIInChI=1S/C11H15N5OS/c1-6(2)8-5-7(10(17)16(4)15-8)9-13-14-11(12-3)18-9/h5-6H,1-4H3,(H,12,14)
InChIKeyGAKUQYXCINGCRS-UHFFFAOYSA-N
XLogP1.46
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-propan-2-ylpyridazin-3-one?
The IUPAC name of 2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-propan-2-ylpyridazin-3-one (CID 82443164) is 2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-propan-2-ylpyridazin-3-one?
The canonical SMILES for 2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-propan-2-ylpyridazin-3-one is CNc1nnc(-c2cc(C(C)C)nn(C)c2=O)s1.
What is the InChIKey of 2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-propan-2-ylpyridazin-3-one?
The InChIKey is GAKUQYXCINGCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-6(2)8-5-7(10(17)16(4)15-8)9-13-14-11(12-3)18-9/h5-6H,1-4H3,(H,12,14).
What are the key properties of 2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-propan-2-ylpyridazin-3-one?
2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-propan-2-ylpyridazin-3-one has a molecular weight of 265.34 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 82443164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).