6-hydroxy-1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]pyrimidine-2,4-dione

C9H11N7O3 — CID 136642684

IUPAC6-hydroxy-1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]pyrimidine-2,4-dione
SMILESCc1nc(/N=N/c2c(O)n(C)c(=O)n(C)c2=O)n[nH]1
InChIInChI=1S/C9H11N7O3/c1-4-10-8(13-11-4)14-12-5-6(17)15(2)9(19)16(3)7(5)18/h17H,1-3H3,(H,10,11,13)/b14-12+
InChIKeyKALRWJUVKUJZAU-WYMLVPIESA-N
MW265.23 g/mol
LogP-0.37
Rot. Bonds2

About 6-hydroxy-1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]pyrimidine-2,4-dione

6-hydroxy-1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]pyrimidine-2,4-dione (PubChem CID 136642684) has the molecular formula C9H11N7O3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]pyrimidine-2,4-dione
PubChem CID136642684
Molecular FormulaC9H11N7O3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Name6-hydroxy-1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]pyrimidine-2,4-dione
SMILESCc1nc(/N=N/c2c(O)n(C)c(=O)n(C)c2=O)n[nH]1
InChIInChI=1S/C9H11N7O3/c1-4-10-8(13-11-4)14-12-5-6(17)15(2)9(19)16(3)7(5)18/h17H,1-3H3,(H,10,11,13)/b14-12+
InChIKeyKALRWJUVKUJZAU-WYMLVPIESA-N
XLogP-0.37
TPSA130.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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 6-hydroxy-1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]pyrimidine-2,4-dione (CID 136642684) is 6-hydroxy-1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]pyrimidine-2,4-dione is Cc1nc(/N=N/c2c(O)n(C)c(=O)n(C)c2=O)n[nH]1.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]pyrimidine-2,4-dione?
The InChIKey is KALRWJUVKUJZAU-WYMLVPIESA-N. The full InChI is InChI=1S/C9H11N7O3/c1-4-10-8(13-11-4)14-12-5-6(17)15(2)9(19)16(3)7(5)18/h17H,1-3H3,(H,10,11,13)/b14-12+.
What are the key properties of 6-hydroxy-1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]pyrimidine-2,4-dione?
6-hydroxy-1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]pyrimidine-2,4-dione has a molecular weight of 265.23 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]pyrimidine-2,4-dione is sourced from PubChem (CID 136642684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).