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

C9H11N5O2S — CID 55046242

IUPAC2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione
SMILESCCNc1snnc1Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H11N5O2S/c1-2-10-9-6(11-13-17-9)5-14-8(16)4-3-7(15)12-14/h3-4,10H,2,5H2,1H3,(H,12,15)
InChIKeyHRUJRBXMENUTTQ-UHFFFAOYSA-N
MW253.29 g/mol
LogP-0.13
Rot. Bonds4

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

2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione (PubChem CID 55046242) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione
PubChem CID55046242
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione
SMILESCCNc1snnc1Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H11N5O2S/c1-2-10-9-6(11-13-17-9)5-14-8(16)4-3-7(15)12-14/h3-4,10H,2,5H2,1H3,(H,12,15)
InChIKeyHRUJRBXMENUTTQ-UHFFFAOYSA-N
XLogP-0.13
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[5-(Propylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81310736
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81318910
1-[[5-(Methylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319668
6-Methyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridazin-3-one
CID 55155114
1-Methyl-4-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrazine-2,3-dione
CID 55157395
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-3-methylpyridin-2-one
CID 55159380
2-[(5-aminothiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 55168720
2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 55168721
6-Methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridin-2-one
CID 62193449
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-6-methylpyridin-2-one
CID 62193450
6-Methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridin-2-one
CID 62193451
5-Bromo-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridin-2-one
CID 62207647

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione (CID 55046242) is 2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione is CCNc1snnc1Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione?
The InChIKey is HRUJRBXMENUTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-2-10-9-6(11-13-17-9)5-14-8(16)4-3-7(15)12-14/h3-4,10H,2,5H2,1H3,(H,12,15).
What are the key properties of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione?
2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione has a molecular weight of 253.29 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 55046242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).