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

Name: 2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₁₃N₅O₂S — CID 62208855

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione
PubChem CID	62208855
Molecular Formula	C₁₀H₁₃N₅O₂S
Molecular Weight	267.31 g/mol
Exact Mass	267.08
IUPAC Name	2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione
SMILES	CCCNc1snnc1Cn1[nH]c(=O)ccc1=O
InChI	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)
InChIKey	BAKGDACEFNJMQS-UHFFFAOYSA-N
XLogP	0.26
TPSA	92.67 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.31
LogP ≤ 5	0.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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).

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Sources

PubChem CID 62208855 — identifiers, structure, computed properties (public domain)

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