2-(4-aminophenyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanamide

C15H19N5O — CID 114387555

IUPAC2-(4-aminophenyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanamide
SMILESCc1nnc(NC(=O)C(C)(C)c2ccc(N)cc2)nc1C
InChIInChI=1S/C15H19N5O/c1-9-10(2)19-20-14(17-9)18-13(21)15(3,4)11-5-7-12(16)8-6-11/h5-8H,16H2,1-4H3,(H,17,18,20,21)
InChIKeyWEVBULXAWYCHIW-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.99
Rot. Bonds3

About 2-(4-aminophenyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanamide

2-(4-aminophenyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanamide (PubChem CID 114387555) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanamide
PubChem CID114387555
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-(4-aminophenyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanamide
SMILESCc1nnc(NC(=O)C(C)(C)c2ccc(N)cc2)nc1C
InChIInChI=1S/C15H19N5O/c1-9-10(2)19-20-14(17-9)18-13(21)15(3,4)11-5-7-12(16)8-6-11/h5-8H,16H2,1-4H3,(H,17,18,20,21)
InChIKeyWEVBULXAWYCHIW-UHFFFAOYSA-N
XLogP1.99
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanamide (CID 114387555) is 2-(4-aminophenyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanamide is Cc1nnc(NC(=O)C(C)(C)c2ccc(N)cc2)nc1C.
What is the InChIKey of 2-(4-aminophenyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanamide?
The InChIKey is WEVBULXAWYCHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-9-10(2)19-20-14(17-9)18-13(21)15(3,4)11-5-7-12(16)8-6-11/h5-8H,16H2,1-4H3,(H,17,18,20,21).
What are the key properties of 2-(4-aminophenyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanamide?
2-(4-aminophenyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanamide has a molecular weight of 285.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanamide is sourced from PubChem (CID 114387555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).