[1,2,4]thiadiazolo[2,3-a]pyrimidin-8-ium-2-amine

C5H5N4S+ — CID 130155543

IUPAC[1,2,4]thiadiazolo[2,3-a]pyrimidin-8-ium-2-amine
SMILESNc1nc2nccc[n+]2s1
InChIInChI=1S/C5H4N4S/c6-4-8-5-7-2-1-3-9(5)10-4/h1-3,6H/p+1
InChIKeyDRPYLXPMIOQYTN-UHFFFAOYSA-O
MW153.19 g/mol
LogP-0.14
Rot. Bonds

About [1,2,4]thiadiazolo[2,3-a]pyrimidin-8-ium-2-amine

[1,2,4]thiadiazolo[2,3-a]pyrimidin-8-ium-2-amine (PubChem CID 130155543) has the molecular formula C5H5N4S+ and a molecular weight of 153.19 g/mol. Its IUPAC name is [1,2,4]thiadiazolo[2,3-a]pyrimidin-8-ium-2-amine.

Molecular Properties

Compound Name[1,2,4]thiadiazolo[2,3-a]pyrimidin-8-ium-2-amine
PubChem CID130155543
Molecular FormulaC5H5N4S+
Molecular Weight153.19 g/mol
Exact Mass153.02
IUPAC Name[1,2,4]thiadiazolo[2,3-a]pyrimidin-8-ium-2-amine
SMILESNc1nc2nccc[n+]2s1
InChIInChI=1S/C5H4N4S/c6-4-8-5-7-2-1-3-9(5)10-4/h1-3,6H/p+1
InChIKeyDRPYLXPMIOQYTN-UHFFFAOYSA-O
XLogP-0.14
TPSA55.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1,2,4]thiadiazolo[2,3-a]pyrimidin-8-ium-2-amine?
The IUPAC name of [1,2,4]thiadiazolo[2,3-a]pyrimidin-8-ium-2-amine (CID 130155543) is [1,2,4]thiadiazolo[2,3-a]pyrimidin-8-ium-2-amine.
What is the SMILES notation for [1,2,4]thiadiazolo[2,3-a]pyrimidin-8-ium-2-amine?
The canonical SMILES for [1,2,4]thiadiazolo[2,3-a]pyrimidin-8-ium-2-amine is Nc1nc2nccc[n+]2s1.
What is the InChIKey of [1,2,4]thiadiazolo[2,3-a]pyrimidin-8-ium-2-amine?
The InChIKey is DRPYLXPMIOQYTN-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H4N4S/c6-4-8-5-7-2-1-3-9(5)10-4/h1-3,6H/p+1.
What are the key properties of [1,2,4]thiadiazolo[2,3-a]pyrimidin-8-ium-2-amine?
[1,2,4]thiadiazolo[2,3-a]pyrimidin-8-ium-2-amine has a molecular weight of 153.19 g/mol, XLogP of -0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,4]thiadiazolo[2,3-a]pyrimidin-8-ium-2-amine is sourced from PubChem (CID 130155543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).