1-methyl-4-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrazine-2,3-dione

C9H11N5O2S — CID 55157395

IUPAC1-methyl-4-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrazine-2,3-dione
SMILESCNc1snnc1Cn1ccn(C)c(=O)c1=O
InChIInChI=1S/C9H11N5O2S/c1-10-7-6(11-12-17-7)5-14-4-3-13(2)8(15)9(14)16/h3-4,10H,5H2,1-2H3
InChIKeyVROPGTSZOSAYCI-UHFFFAOYSA-N
MW253.29 g/mol
LogP-0.51
Rot. Bonds3

About 1-methyl-4-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrazine-2,3-dione

1-methyl-4-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrazine-2,3-dione (PubChem CID 55157395) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-methyl-4-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-methyl-4-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrazine-2,3-dione
PubChem CID55157395
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name1-methyl-4-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrazine-2,3-dione
SMILESCNc1snnc1Cn1ccn(C)c(=O)c1=O
InChIInChI=1S/C9H11N5O2S/c1-10-7-6(11-12-17-7)5-14-4-3-13(2)8(15)9(14)16/h3-4,10H,5H2,1-2H3
InChIKeyVROPGTSZOSAYCI-UHFFFAOYSA-N
XLogP-0.51
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrazine-2,3-dione?
The IUPAC name of 1-methyl-4-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrazine-2,3-dione (CID 55157395) is 1-methyl-4-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-methyl-4-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrazine-2,3-dione?
The canonical SMILES for 1-methyl-4-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrazine-2,3-dione is CNc1snnc1Cn1ccn(C)c(=O)c1=O.
What is the InChIKey of 1-methyl-4-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrazine-2,3-dione?
The InChIKey is VROPGTSZOSAYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-10-7-6(11-12-17-7)5-14-4-3-13(2)8(15)9(14)16/h3-4,10H,5H2,1-2H3.
What are the key properties of 1-methyl-4-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrazine-2,3-dione?
1-methyl-4-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrazine-2,3-dione has a molecular weight of 253.29 g/mol, XLogP of -0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrazine-2,3-dione is sourced from PubChem (CID 55157395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).