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

C14H18N4O2 — CID 13386037

IUPACN-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C2=NNC(=O)NC2C)cc1
InChIInChI=1S/C14H18N4O2/c1-3-4-12(19)16-11-7-5-10(6-8-11)13-9(2)15-14(20)18-17-13/h5-9H,3-4H2,1-2H3,(H,16,19)(H2,15,18,20)
InChIKeyYNMPKULLTFAJGG-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.83
Rot. Bonds4

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

N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]butanamide (PubChem CID 13386037) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]butanamide
PubChem CID13386037
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C2=NNC(=O)NC2C)cc1
InChIInChI=1S/C14H18N4O2/c1-3-4-12(19)16-11-7-5-10(6-8-11)13-9(2)15-14(20)18-17-13/h5-9H,3-4H2,1-2H3,(H,16,19)(H2,15,18,20)
InChIKeyYNMPKULLTFAJGG-UHFFFAOYSA-N
XLogP1.83
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]butanamide?
The IUPAC name of N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]butanamide (CID 13386037) is N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]butanamide.
What is the SMILES notation for N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]butanamide?
The canonical SMILES for N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]butanamide is CCCC(=O)Nc1ccc(C2=NNC(=O)NC2C)cc1.
What is the InChIKey of N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]butanamide?
The InChIKey is YNMPKULLTFAJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-4-12(19)16-11-7-5-10(6-8-11)13-9(2)15-14(20)18-17-13/h5-9H,3-4H2,1-2H3,(H,16,19)(H2,15,18,20).
What are the key properties of N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]butanamide?
N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]butanamide has a molecular weight of 274.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]butanamide is sourced from PubChem (CID 13386037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).