2-amino-5,6-dimethyl-3-[(2-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H16N6O — CID 135518161

IUPAC2-amino-5,6-dimethyl-3-[(2-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1ccccc1/N=N/c1c(N)[nH]n2c(=O)c(C)c(C)nc12
InChIInChI=1S/C15H16N6O/c1-8-6-4-5-7-11(8)18-19-12-13(16)20-21-14(12)17-10(3)9(2)15(21)22/h4-7,20H,16H2,1-3H3/b19-18+
InChIKeyFGLMKZGNORPEIP-VHEBQXMUSA-N
MW296.33 g/mol
LogP2.95
Rot. Bonds2

About 2-amino-5,6-dimethyl-3-[(2-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-amino-5,6-dimethyl-3-[(2-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 135518161) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-amino-5,6-dimethyl-3-[(2-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-5,6-dimethyl-3-[(2-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID135518161
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name2-amino-5,6-dimethyl-3-[(2-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1ccccc1/N=N/c1c(N)[nH]n2c(=O)c(C)c(C)nc12
InChIInChI=1S/C15H16N6O/c1-8-6-4-5-7-11(8)18-19-12-13(16)20-21-14(12)17-10(3)9(2)15(21)22/h4-7,20H,16H2,1-3H3/b19-18+
InChIKeyFGLMKZGNORPEIP-VHEBQXMUSA-N
XLogP2.95
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.95
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 2-amino-5,6-dimethyl-3-[(2-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one 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 2-amino-5,6-dimethyl-3-[(2-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-5,6-dimethyl-3-[(2-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 135518161) is 2-amino-5,6-dimethyl-3-[(2-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-5,6-dimethyl-3-[(2-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-5,6-dimethyl-3-[(2-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1ccccc1/N=N/c1c(N)[nH]n2c(=O)c(C)c(C)nc12.
What is the InChIKey of 2-amino-5,6-dimethyl-3-[(2-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FGLMKZGNORPEIP-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H16N6O/c1-8-6-4-5-7-11(8)18-19-12-13(16)20-21-14(12)17-10(3)9(2)15(21)22/h4-7,20H,16H2,1-3H3/b19-18+.
What are the key properties of 2-amino-5,6-dimethyl-3-[(2-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-amino-5,6-dimethyl-3-[(2-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 296.33 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6-dimethyl-3-[(2-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 135518161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).