5-methyl-3-phenyldiazenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-amine

C13H14N6 — CID 171357235

IUPAC5-methyl-3-phenyldiazenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-amine
SMILESCC1=CCn2nc(N)c(/N=N/c3ccccc3)c2N1
InChIInChI=1S/C13H14N6/c1-9-7-8-19-13(15-9)11(12(14)18-19)17-16-10-5-3-2-4-6-10/h2-7,15H,8H2,1H3,(H2,14,18)/b17-16+
InChIKeyLAOISLYMIZNPMT-WUKNDPDISA-N
MW254.30 g/mol
LogP3.21
Rot. Bonds2

About 5-methyl-3-phenyldiazenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-amine

5-methyl-3-phenyldiazenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 171357235) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 5-methyl-3-phenyldiazenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-3-phenyldiazenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID171357235
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name5-methyl-3-phenyldiazenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-amine
SMILESCC1=CCn2nc(N)c(/N=N/c3ccccc3)c2N1
InChIInChI=1S/C13H14N6/c1-9-7-8-19-13(15-9)11(12(14)18-19)17-16-10-5-3-2-4-6-10/h2-7,15H,8H2,1H3,(H2,14,18)/b17-16+
InChIKeyLAOISLYMIZNPMT-WUKNDPDISA-N
XLogP3.21
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-methyl-3-phenyldiazenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyldiazenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-methyl-3-phenyldiazenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-amine (CID 171357235) is 5-methyl-3-phenyldiazenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-3-phenyldiazenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-3-phenyldiazenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-amine is CC1=CCn2nc(N)c(/N=N/c3ccccc3)c2N1.
What is the InChIKey of 5-methyl-3-phenyldiazenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is LAOISLYMIZNPMT-WUKNDPDISA-N. The full InChI is InChI=1S/C13H14N6/c1-9-7-8-19-13(15-9)11(12(14)18-19)17-16-10-5-3-2-4-6-10/h2-7,15H,8H2,1H3,(H2,14,18)/b17-16+.
What are the key properties of 5-methyl-3-phenyldiazenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-amine?
5-methyl-3-phenyldiazenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 254.30 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyldiazenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 171357235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).