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

C12H17N5O2S — CID 63271396

IUPAC4,5-dimethyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione
SMILESCCCNc1snnc1Cn1[nH]c(=O)c(C)c(C)c1=O
InChIInChI=1S/C12H17N5O2S/c1-4-5-13-11-9(14-16-20-11)6-17-12(19)8(3)7(2)10(18)15-17/h13H,4-6H2,1-3H3,(H,15,18)
InChIKeyUVDZFROOXCTISK-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.88
Rot. Bonds5

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

4,5-dimethyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione (PubChem CID 63271396) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 4,5-dimethyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name4,5-dimethyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione
PubChem CID63271396
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name4,5-dimethyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione
SMILESCCCNc1snnc1Cn1[nH]c(=O)c(C)c(C)c1=O
InChIInChI=1S/C12H17N5O2S/c1-4-5-13-11-9(14-16-20-11)6-17-12(19)8(3)7(2)10(18)15-17/h13H,4-6H2,1-3H3,(H,15,18)
InChIKeyUVDZFROOXCTISK-UHFFFAOYSA-N
XLogP0.88
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.88
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-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 4,5-dimethyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione (CID 63271396) is 4,5-dimethyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 4,5-dimethyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 4,5-dimethyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione is CCCNc1snnc1Cn1[nH]c(=O)c(C)c(C)c1=O.
What is the InChIKey of 4,5-dimethyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione?
The InChIKey is UVDZFROOXCTISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-4-5-13-11-9(14-16-20-11)6-17-12(19)8(3)7(2)10(18)15-17/h13H,4-6H2,1-3H3,(H,15,18).
What are the key properties of 4,5-dimethyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione?
4,5-dimethyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione has a molecular weight of 295.37 g/mol, XLogP of 0.88, 5 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-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 63271396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).