6-[(2-aminophenyl)methyl]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C12H14N4O2 — CID 12761997

IUPAC6-[(2-aminophenyl)methyl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(Cc2ccccc2N)c(=O)n(C)c1=O
InChIInChI=1S/C12H14N4O2/c1-15-11(17)10(14-16(2)12(15)18)7-8-5-3-4-6-9(8)13/h3-6H,7,13H2,1-2H3
InChIKeyLIMWFYZQPWIRBD-UHFFFAOYSA-N
MW246.27 g/mol
LogP-0.35
Rot. Bonds2

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

6-[(2-aminophenyl)methyl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 12761997) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-[(2-aminophenyl)methyl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-aminophenyl)methyl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID12761997
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name6-[(2-aminophenyl)methyl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(Cc2ccccc2N)c(=O)n(C)c1=O
InChIInChI=1S/C12H14N4O2/c1-15-11(17)10(14-16(2)12(15)18)7-8-5-3-4-6-9(8)13/h3-6H,7,13H2,1-2H3
InChIKeyLIMWFYZQPWIRBD-UHFFFAOYSA-N
XLogP-0.35
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminophenyl)methyl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-aminophenyl)methyl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 12761997) is 6-[(2-aminophenyl)methyl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-aminophenyl)methyl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-aminophenyl)methyl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(Cc2ccccc2N)c(=O)n(C)c1=O.
What is the InChIKey of 6-[(2-aminophenyl)methyl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is LIMWFYZQPWIRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-15-11(17)10(14-16(2)12(15)18)7-8-5-3-4-6-9(8)13/h3-6H,7,13H2,1-2H3.
What are the key properties of 6-[(2-aminophenyl)methyl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(2-aminophenyl)methyl]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 246.27 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminophenyl)methyl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 12761997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).