4,5-dimethyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione

C10H13N5O2S — CID 63271357

IUPAC4,5-dimethyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione
SMILESCNc1snnc1Cn1[nH]c(=O)c(C)c(C)c1=O
InChIInChI=1S/C10H13N5O2S/c1-5-6(2)10(17)15(13-8(5)16)4-7-9(11-3)18-14-12-7/h11H,4H2,1-3H3,(H,13,16)
InChIKeyGQVLUTGERZVVEM-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.09
Rot. Bonds3

About 4,5-dimethyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione

4,5-dimethyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione (PubChem CID 63271357) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4,5-dimethyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name4,5-dimethyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione
PubChem CID63271357
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name4,5-dimethyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione
SMILESCNc1snnc1Cn1[nH]c(=O)c(C)c(C)c1=O
InChIInChI=1S/C10H13N5O2S/c1-5-6(2)10(17)15(13-8(5)16)4-7-9(11-3)18-14-12-7/h11H,4H2,1-3H3,(H,13,16)
InChIKeyGQVLUTGERZVVEM-UHFFFAOYSA-N
XLogP0.09
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 4,5-dimethyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione (CID 63271357) is 4,5-dimethyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 4,5-dimethyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 4,5-dimethyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione is CNc1snnc1Cn1[nH]c(=O)c(C)c(C)c1=O.
What is the InChIKey of 4,5-dimethyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione?
The InChIKey is GQVLUTGERZVVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-5-6(2)10(17)15(13-8(5)16)4-7-9(11-3)18-14-12-7/h11H,4H2,1-3H3,(H,13,16).
What are the key properties of 4,5-dimethyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione?
4,5-dimethyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione has a molecular weight of 267.31 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 63271357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).