5,7-dimethyl-3-(pyridin-3-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine

C13H13N7 — CID 2753943

IUPAC5,7-dimethyl-3-(pyridin-3-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(C)n2nc(N)c(/N=N/c3cccnc3)c2n1
InChIInChI=1S/C13H13N7/c1-8-6-9(2)20-13(16-8)11(12(14)19-20)18-17-10-4-3-5-15-7-10/h3-7H,1-2H3,(H2,14,19)/b18-17+
InChIKeyCHPGNVKCECOEQJ-ISLYRVAYSA-N
MW267.30 g/mol
LogP2.74
Rot. Bonds2

About 5,7-dimethyl-3-(pyridin-3-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine

5,7-dimethyl-3-(pyridin-3-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 2753943) has the molecular formula C13H13N7 and a molecular weight of 267.30 g/mol. Its IUPAC name is 5,7-dimethyl-3-(pyridin-3-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5,7-dimethyl-3-(pyridin-3-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID2753943
Molecular FormulaC13H13N7
Molecular Weight267.30 g/mol
Exact Mass267.12
IUPAC Name5,7-dimethyl-3-(pyridin-3-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(C)n2nc(N)c(/N=N/c3cccnc3)c2n1
InChIInChI=1S/C13H13N7/c1-8-6-9(2)20-13(16-8)11(12(14)19-20)18-17-10-4-3-5-15-7-10/h3-7H,1-2H3,(H2,14,19)/b18-17+
InChIKeyCHPGNVKCECOEQJ-ISLYRVAYSA-N
XLogP2.74
TPSA93.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 5,7-dimethyl-3-(pyridin-3-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5,7-dimethyl-3-(pyridin-3-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine (CID 2753943) is 5,7-dimethyl-3-(pyridin-3-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5,7-dimethyl-3-(pyridin-3-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5,7-dimethyl-3-(pyridin-3-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine is Cc1cc(C)n2nc(N)c(/N=N/c3cccnc3)c2n1.
What is the InChIKey of 5,7-dimethyl-3-(pyridin-3-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is CHPGNVKCECOEQJ-ISLYRVAYSA-N. The full InChI is InChI=1S/C13H13N7/c1-8-6-9(2)20-13(16-8)11(12(14)19-20)18-17-10-4-3-5-15-7-10/h3-7H,1-2H3,(H2,14,19)/b18-17+.
What are the key properties of 5,7-dimethyl-3-(pyridin-3-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine?
5,7-dimethyl-3-(pyridin-3-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 267.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-(pyridin-3-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 2753943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).