5,7-dimethyl-6-phenyldiazenyl-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine

C17H15N9S — CID 139233946

IUPAC5,7-dimethyl-6-phenyldiazenyl-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCc1nc2c(/N=N/c3nccs3)c(N)nn2c(C)c1/N=N/c1ccccc1
InChIInChI=1S/C17H15N9S/c1-10-13(22-21-12-6-4-3-5-7-12)11(2)26-16(20-10)14(15(18)25-26)23-24-17-19-8-9-27-17/h3-9H,1-2H3,(H2,18,25)/b22-21+,24-23+
InChIKeyLHJPSZAEIMSSGZ-RLPYSRNMSA-N
MW377.44 g/mol
LogP5.22
Rot. Bonds4

About 5,7-dimethyl-6-phenyldiazenyl-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine

5,7-dimethyl-6-phenyldiazenyl-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 139233946) has the molecular formula C17H15N9S and a molecular weight of 377.44 g/mol. Its IUPAC name is 5,7-dimethyl-6-phenyldiazenyl-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5,7-dimethyl-6-phenyldiazenyl-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID139233946
Molecular FormulaC17H15N9S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name5,7-dimethyl-6-phenyldiazenyl-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCc1nc2c(/N=N/c3nccs3)c(N)nn2c(C)c1/N=N/c1ccccc1
InChIInChI=1S/C17H15N9S/c1-10-13(22-21-12-6-4-3-5-7-12)11(2)26-16(20-10)14(15(18)25-26)23-24-17-19-8-9-27-17/h3-9H,1-2H3,(H2,18,25)/b22-21+,24-23+
InChIKeyLHJPSZAEIMSSGZ-RLPYSRNMSA-N
XLogP5.22
TPSA118.54 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.44
LogP ≤ 55.22
H-Bond Donors ≤ 51
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 5,7-dimethyl-6-phenyldiazenyl-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5,7-dimethyl-6-phenyldiazenyl-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine (CID 139233946) is 5,7-dimethyl-6-phenyldiazenyl-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5,7-dimethyl-6-phenyldiazenyl-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5,7-dimethyl-6-phenyldiazenyl-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine is Cc1nc2c(/N=N/c3nccs3)c(N)nn2c(C)c1/N=N/c1ccccc1.
What is the InChIKey of 5,7-dimethyl-6-phenyldiazenyl-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is LHJPSZAEIMSSGZ-RLPYSRNMSA-N. The full InChI is InChI=1S/C17H15N9S/c1-10-13(22-21-12-6-4-3-5-7-12)11(2)26-16(20-10)14(15(18)25-26)23-24-17-19-8-9-27-17/h3-9H,1-2H3,(H2,18,25)/b22-21+,24-23+.
What are the key properties of 5,7-dimethyl-6-phenyldiazenyl-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine?
5,7-dimethyl-6-phenyldiazenyl-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 377.44 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-phenyldiazenyl-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 139233946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).