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

C13H17N5O2 — CID 61221196

IUPAC6-[2-(4-aminophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCc2ccc(N)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H17N5O2/c1-17-12(19)11(16-18(2)13(17)20)15-8-7-9-3-5-10(14)6-4-9/h3-6H,7-8,14H2,1-2H3,(H,15,16)
InChIKeyUVVMZKANRNBLKV-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.28
Rot. Bonds4

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

6-[2-(4-aminophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 61221196) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-[2-(4-aminophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-(4-aminophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID61221196
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name6-[2-(4-aminophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCc2ccc(N)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H17N5O2/c1-17-12(19)11(16-18(2)13(17)20)15-8-7-9-3-5-10(14)6-4-9/h3-6H,7-8,14H2,1-2H3,(H,15,16)
InChIKeyUVVMZKANRNBLKV-UHFFFAOYSA-N
XLogP-0.28
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-aminophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-(4-aminophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 61221196) is 6-[2-(4-aminophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-(4-aminophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-(4-aminophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NCCc2ccc(N)cc2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[2-(4-aminophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is UVVMZKANRNBLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-17-12(19)11(16-18(2)13(17)20)15-8-7-9-3-5-10(14)6-4-9/h3-6H,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of 6-[2-(4-aminophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[2-(4-aminophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 275.31 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-aminophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 61221196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).