(E)-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]but-2-enamide

C14H16N4O2 — CID 13386042

IUPAC(E)-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]but-2-enamide
SMILESC/C=C/C(=O)Nc1ccc(C2=NNC(=O)NC2C)cc1
InChIInChI=1S/C14H16N4O2/c1-3-4-12(19)16-11-7-5-10(6-8-11)13-9(2)15-14(20)18-17-13/h3-9H,1-2H3,(H,16,19)(H2,15,18,20)/b4-3+
InChIKeyUBBKHGWUZBYVIB-ONEGZZNKSA-N
MW272.31 g/mol
LogP1.61
Rot. Bonds3

About (E)-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]but-2-enamide

(E)-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]but-2-enamide (PubChem CID 13386042) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is (E)-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]but-2-enamide
PubChem CID13386042
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name(E)-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]but-2-enamide
SMILESC/C=C/C(=O)Nc1ccc(C2=NNC(=O)NC2C)cc1
InChIInChI=1S/C14H16N4O2/c1-3-4-12(19)16-11-7-5-10(6-8-11)13-9(2)15-14(20)18-17-13/h3-9H,1-2H3,(H,16,19)(H2,15,18,20)/b4-3+
InChIKeyUBBKHGWUZBYVIB-ONEGZZNKSA-N
XLogP1.61
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]but-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]but-2-enamide?
The IUPAC name of (E)-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]but-2-enamide (CID 13386042) is (E)-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]but-2-enamide.
What is the SMILES notation for (E)-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]but-2-enamide?
The canonical SMILES for (E)-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]but-2-enamide is C/C=C/C(=O)Nc1ccc(C2=NNC(=O)NC2C)cc1.
What is the InChIKey of (E)-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]but-2-enamide?
The InChIKey is UBBKHGWUZBYVIB-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-3-4-12(19)16-11-7-5-10(6-8-11)13-9(2)15-14(20)18-17-13/h3-9H,1-2H3,(H,16,19)(H2,15,18,20)/b4-3+.
What are the key properties of (E)-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]but-2-enamide?
(E)-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]but-2-enamide has a molecular weight of 272.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]but-2-enamide is sourced from PubChem (CID 13386042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).