6-hydroxy-4,5,7-trimethylpyrrolo[3,4-d]triazine

C8H10N4O — CID 89208576

IUPAC6-hydroxy-4,5,7-trimethylpyrrolo[3,4-d]triazine
SMILESCc1nnnc2c(C)n(O)c(C)c12
InChIInChI=1S/C8H10N4O/c1-4-7-5(2)12(13)6(3)8(7)10-11-9-4/h13H,1-3H3
InChIKeyFRTDFNOWVHRTRH-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.99
Rot. Bonds

About 6-hydroxy-4,5,7-trimethylpyrrolo[3,4-d]triazine

6-hydroxy-4,5,7-trimethylpyrrolo[3,4-d]triazine (PubChem CID 89208576) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 6-hydroxy-4,5,7-trimethylpyrrolo[3,4-d]triazine.

Molecular Properties

Compound Name6-hydroxy-4,5,7-trimethylpyrrolo[3,4-d]triazine
PubChem CID89208576
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name6-hydroxy-4,5,7-trimethylpyrrolo[3,4-d]triazine
SMILESCc1nnnc2c(C)n(O)c(C)c12
InChIInChI=1S/C8H10N4O/c1-4-7-5(2)12(13)6(3)8(7)10-11-9-4/h13H,1-3H3
InChIKeyFRTDFNOWVHRTRH-UHFFFAOYSA-N
XLogP0.99
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4,5,7-trimethylpyrrolo[3,4-d]triazine?
The IUPAC name of 6-hydroxy-4,5,7-trimethylpyrrolo[3,4-d]triazine (CID 89208576) is 6-hydroxy-4,5,7-trimethylpyrrolo[3,4-d]triazine.
What is the SMILES notation for 6-hydroxy-4,5,7-trimethylpyrrolo[3,4-d]triazine?
The canonical SMILES for 6-hydroxy-4,5,7-trimethylpyrrolo[3,4-d]triazine is Cc1nnnc2c(C)n(O)c(C)c12.
What is the InChIKey of 6-hydroxy-4,5,7-trimethylpyrrolo[3,4-d]triazine?
The InChIKey is FRTDFNOWVHRTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-4-7-5(2)12(13)6(3)8(7)10-11-9-4/h13H,1-3H3.
What are the key properties of 6-hydroxy-4,5,7-trimethylpyrrolo[3,4-d]triazine?
6-hydroxy-4,5,7-trimethylpyrrolo[3,4-d]triazine has a molecular weight of 178.19 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4,5,7-trimethylpyrrolo[3,4-d]triazine is sourced from PubChem (CID 89208576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).