7-amino-8-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione

C12H11N7O2 — CID 135479905

IUPAC7-amino-8-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
SMILESCc1ccc(/N=N/c2c(N)nn3c(=O)[nH]c(=O)[nH]c23)cc1
InChIInChI=1S/C12H11N7O2/c1-6-2-4-7(5-3-6)16-17-8-9(13)18-19-10(8)14-11(20)15-12(19)21/h2-5H,1H3,(H2,13,18)(H2,14,15,20,21)/b17-16+
InChIKeyNWWCQGIQGMIYJB-WUKNDPDISA-N
MW285.27 g/mol
LogP1.02
Rot. Bonds2

About 7-amino-8-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione

7-amino-8-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione (PubChem CID 135479905) has the molecular formula C12H11N7O2 and a molecular weight of 285.27 g/mol. Its IUPAC name is 7-amino-8-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione.

Molecular Properties

Compound Name7-amino-8-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
PubChem CID135479905
Molecular FormulaC12H11N7O2
Molecular Weight285.27 g/mol
Exact Mass285.10
IUPAC Name7-amino-8-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
SMILESCc1ccc(/N=N/c2c(N)nn3c(=O)[nH]c(=O)[nH]c23)cc1
InChIInChI=1S/C12H11N7O2/c1-6-2-4-7(5-3-6)16-17-8-9(13)18-19-10(8)14-11(20)15-12(19)21/h2-5H,1H3,(H2,13,18)(H2,14,15,20,21)/b17-16+
InChIKeyNWWCQGIQGMIYJB-WUKNDPDISA-N
XLogP1.02
TPSA133.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 51.02
H-Bond Donors ≤ 53
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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Related Compounds

7-amino-8-[(4-chlorophenyl)diazenyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135450958
2-amino-7-methyl-3-[(4-methylphenyl)diazenyl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135482837
2-amino-3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135479121
bis(4-methylphenyl)diazene
CID 10389
6-amino-1,3-dimethyl-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione
CID 135837405
6-acetyl-2-amino-7-(4-methoxyphenyl)-3-phenyldiazenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 136736135
3-amino-4-[(4-methylphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one
CID 135490301
8-[(4-methylphenyl)diazenyl]-3,6-dihydro-2H-pyrrolo[3,2-e]benzotriazol-7-one
CID 135508230
7-(6-methoxynaphthalen-2-yl)-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine
CID 155810949
6-hydroxy-5-[(4-methylphenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 766619
6-amino-5-[(4-ethylphenyl)diazenyl]-1H-pyrimidine-2,4-dione
CID 137199518
2,5-diamino-7-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 136698398

Frequently Asked Questions

What is the IUPAC name of 7-amino-8-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The IUPAC name of 7-amino-8-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione (CID 135479905) is 7-amino-8-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione.
What is the SMILES notation for 7-amino-8-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The canonical SMILES for 7-amino-8-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione is Cc1ccc(/N=N/c2c(N)nn3c(=O)[nH]c(=O)[nH]c23)cc1.
What is the InChIKey of 7-amino-8-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The InChIKey is NWWCQGIQGMIYJB-WUKNDPDISA-N. The full InChI is InChI=1S/C12H11N7O2/c1-6-2-4-7(5-3-6)16-17-8-9(13)18-19-10(8)14-11(20)15-12(19)21/h2-5H,1H3,(H2,13,18)(H2,14,15,20,21)/b17-16+.
What are the key properties of 7-amino-8-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
7-amino-8-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione has a molecular weight of 285.27 g/mol, XLogP of 1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione is sourced from PubChem (CID 135479905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).