3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine

C9H9N9S — CID 139233943

IUPAC3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine
SMILESNc1cc(N)n2nc(N)c(/N=N/c3nccs3)c2n1
InChIInChI=1S/C9H9N9S/c10-4-3-5(11)18-8(14-4)6(7(12)17-18)15-16-9-13-1-2-19-9/h1-3H,11H2,(H2,10,14)(H2,12,17)/b16-15+
InChIKeyCYWNDFTYGARUMZ-FOCLMDBBSA-N
MW275.30 g/mol
LogP1.35
Rot. Bonds2

About 3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine

3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine (PubChem CID 139233943) has the molecular formula C9H9N9S and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine
PubChem CID139233943
Molecular FormulaC9H9N9S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC Name3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine
SMILESNc1cc(N)n2nc(N)c(/N=N/c3nccs3)c2n1
InChIInChI=1S/C9H9N9S/c10-4-3-5(11)18-8(14-4)6(7(12)17-18)15-16-9-13-1-2-19-9/h1-3H,11H2,(H2,10,14)(H2,12,17)/b16-15+
InChIKeyCYWNDFTYGARUMZ-FOCLMDBBSA-N
XLogP1.35
TPSA145.86 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine?
The IUPAC name of 3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine (CID 139233943) is 3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine.
What is the SMILES notation for 3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine?
The canonical SMILES for 3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine is Nc1cc(N)n2nc(N)c(/N=N/c3nccs3)c2n1.
What is the InChIKey of 3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine?
The InChIKey is CYWNDFTYGARUMZ-FOCLMDBBSA-N. The full InChI is InChI=1S/C9H9N9S/c10-4-3-5(11)18-8(14-4)6(7(12)17-18)15-16-9-13-1-2-19-9/h1-3H,11H2,(H2,10,14)(H2,12,17)/b16-15+.
What are the key properties of 3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine?
3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine has a molecular weight of 275.30 g/mol, XLogP of 1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine is sourced from PubChem (CID 139233943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).