N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]propanamide

C14H16N4O2S — CID 135428287

IUPACN-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]propanamide
SMILESCCSc1nnc(-c2ccccc2NC(=O)CC)c(=O)[nH]1
InChIInChI=1S/C14H16N4O2S/c1-3-11(19)15-10-8-6-5-7-9(10)12-13(20)16-14(18-17-12)21-4-2/h5-8H,3-4H2,1-2H3,(H,15,19)(H,16,18,20)
InChIKeyQNPNLHPXSNEMBO-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.29
Rot. Bonds5

About N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]propanamide

N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]propanamide (PubChem CID 135428287) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]propanamide
PubChem CID135428287
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]propanamide
SMILESCCSc1nnc(-c2ccccc2NC(=O)CC)c(=O)[nH]1
InChIInChI=1S/C14H16N4O2S/c1-3-11(19)15-10-8-6-5-7-9(10)12-13(20)16-14(18-17-12)21-4-2/h5-8H,3-4H2,1-2H3,(H,15,19)(H,16,18,20)
InChIKeyQNPNLHPXSNEMBO-UHFFFAOYSA-N
XLogP2.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]propanamide?
The IUPAC name of N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]propanamide (CID 135428287) is N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]propanamide.
What is the SMILES notation for N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]propanamide?
The canonical SMILES for N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]propanamide is CCSc1nnc(-c2ccccc2NC(=O)CC)c(=O)[nH]1.
What is the InChIKey of N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]propanamide?
The InChIKey is QNPNLHPXSNEMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-3-11(19)15-10-8-6-5-7-9(10)12-13(20)16-14(18-17-12)21-4-2/h5-8H,3-4H2,1-2H3,(H,15,19)(H,16,18,20).
What are the key properties of N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]propanamide?
N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]propanamide has a molecular weight of 304.38 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]propanamide is sourced from PubChem (CID 135428287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).