6-[(2-hydroxyphenyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C12H14N4O3 — CID 115598698

IUPAC6-[(2-hydroxyphenyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCc2ccccc2O)c(=O)n(C)c1=O
InChIInChI=1S/C12H14N4O3/c1-15-11(18)10(14-16(2)12(15)19)13-7-8-5-3-4-6-9(8)17/h3-6,17H,7H2,1-2H3,(H,13,14)
InChIKeyHYBKDVDYNWUEMI-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.20
Rot. Bonds3

About 6-[(2-hydroxyphenyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[(2-hydroxyphenyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 115598698) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-[(2-hydroxyphenyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-hydroxyphenyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID115598698
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name6-[(2-hydroxyphenyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCc2ccccc2O)c(=O)n(C)c1=O
InChIInChI=1S/C12H14N4O3/c1-15-11(18)10(14-16(2)12(15)19)13-7-8-5-3-4-6-9(8)17/h3-6,17H,7H2,1-2H3,(H,13,14)
InChIKeyHYBKDVDYNWUEMI-UHFFFAOYSA-N
XLogP-0.20
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxyphenyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-hydroxyphenyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 115598698) is 6-[(2-hydroxyphenyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-hydroxyphenyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-hydroxyphenyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NCc2ccccc2O)c(=O)n(C)c1=O.
What is the InChIKey of 6-[(2-hydroxyphenyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is HYBKDVDYNWUEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-15-11(18)10(14-16(2)12(15)19)13-7-8-5-3-4-6-9(8)17/h3-6,17H,7H2,1-2H3,(H,13,14).
What are the key properties of 6-[(2-hydroxyphenyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(2-hydroxyphenyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 262.27 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxyphenyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 115598698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).