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

C10H13N5O2S — CID 62208855

IUPAC2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione
SMILESCCCNc1snnc1Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H13N5O2S/c1-2-5-11-10-7(12-14-18-10)6-15-9(17)4-3-8(16)13-15/h3-4,11H,2,5-6H2,1H3,(H,13,16)
InChIKeyBAKGDACEFNJMQS-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.26
Rot. Bonds5

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

2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione (PubChem CID 62208855) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione
PubChem CID62208855
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione
SMILESCCCNc1snnc1Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H13N5O2S/c1-2-5-11-10-7(12-14-18-10)6-15-9(17)4-3-8(16)13-15/h3-4,11H,2,5-6H2,1H3,(H,13,16)
InChIKeyBAKGDACEFNJMQS-UHFFFAOYSA-N
XLogP0.26
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione (CID 62208855) is 2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione is CCCNc1snnc1Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione?
The InChIKey is BAKGDACEFNJMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-2-5-11-10-7(12-14-18-10)6-15-9(17)4-3-8(16)13-15/h3-4,11H,2,5-6H2,1H3,(H,13,16).
What are the key properties of 2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione?
2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione has a molecular weight of 267.31 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 62208855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).