2,7-diamino-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

C10H7N9S — CID 139233949

IUPAC2,7-diamino-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1cnc2c(/N=N/c3nccs3)c(N)nn2c1N
InChIInChI=1S/C10H7N9S/c11-3-5-4-15-9-6(7(12)18-19(9)8(5)13)16-17-10-14-1-2-20-10/h1-2,4H,13H2,(H2,12,18)/b17-16+
InChIKeyBDKCQBJTHWMIBV-WUKNDPDISA-N
MW285.30 g/mol
LogP1.64
Rot. Bonds2

About 2,7-diamino-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

2,7-diamino-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 139233949) has the molecular formula C10H7N9S and a molecular weight of 285.30 g/mol. Its IUPAC name is 2,7-diamino-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name2,7-diamino-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID139233949
Molecular FormulaC10H7N9S
Molecular Weight285.30 g/mol
Exact Mass285.05
IUPAC Name2,7-diamino-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1cnc2c(/N=N/c3nccs3)c(N)nn2c1N
InChIInChI=1S/C10H7N9S/c11-3-5-4-15-9-6(7(12)18-19(9)8(5)13)16-17-10-14-1-2-20-10/h1-2,4H,13H2,(H2,12,18)/b17-16+
InChIKeyBDKCQBJTHWMIBV-WUKNDPDISA-N
XLogP1.64
TPSA143.63 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
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 2,7-diamino-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 2,7-diamino-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 139233949) is 2,7-diamino-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 2,7-diamino-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 2,7-diamino-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile is N#Cc1cnc2c(/N=N/c3nccs3)c(N)nn2c1N.
What is the InChIKey of 2,7-diamino-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is BDKCQBJTHWMIBV-WUKNDPDISA-N. The full InChI is InChI=1S/C10H7N9S/c11-3-5-4-15-9-6(7(12)18-19(9)8(5)13)16-17-10-14-1-2-20-10/h1-2,4H,13H2,(H2,12,18)/b17-16+.
What are the key properties of 2,7-diamino-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
2,7-diamino-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 285.30 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diamino-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 139233949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).