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

C15H18N4O2S — CID 135436886

IUPACN-[2-(5-oxo-3-propylsulfanyl-4H-1,2,4-triazin-6-yl)phenyl]propanamide
SMILESCCCSc1nnc(-c2ccccc2NC(=O)CC)c(=O)[nH]1
InChIInChI=1S/C15H18N4O2S/c1-3-9-22-15-17-14(21)13(18-19-15)10-7-5-6-8-11(10)16-12(20)4-2/h5-8H,3-4,9H2,1-2H3,(H,16,20)(H,17,19,21)
InChIKeyNRNHLNMRHRNHSQ-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.68
Rot. Bonds6

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

N-[2-(5-oxo-3-propylsulfanyl-4H-1,2,4-triazin-6-yl)phenyl]propanamide (PubChem CID 135436886) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[2-(5-oxo-3-propylsulfanyl-4H-1,2,4-triazin-6-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(5-oxo-3-propylsulfanyl-4H-1,2,4-triazin-6-yl)phenyl]propanamide
PubChem CID135436886
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-[2-(5-oxo-3-propylsulfanyl-4H-1,2,4-triazin-6-yl)phenyl]propanamide
SMILESCCCSc1nnc(-c2ccccc2NC(=O)CC)c(=O)[nH]1
InChIInChI=1S/C15H18N4O2S/c1-3-9-22-15-17-14(21)13(18-19-15)10-7-5-6-8-11(10)16-12(20)4-2/h5-8H,3-4,9H2,1-2H3,(H,16,20)(H,17,19,21)
InChIKeyNRNHLNMRHRNHSQ-UHFFFAOYSA-N
XLogP2.68
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-oxo-3-propylsulfanyl-4H-1,2,4-triazin-6-yl)phenyl]propanamide?
The IUPAC name of N-[2-(5-oxo-3-propylsulfanyl-4H-1,2,4-triazin-6-yl)phenyl]propanamide (CID 135436886) is N-[2-(5-oxo-3-propylsulfanyl-4H-1,2,4-triazin-6-yl)phenyl]propanamide.
What is the SMILES notation for N-[2-(5-oxo-3-propylsulfanyl-4H-1,2,4-triazin-6-yl)phenyl]propanamide?
The canonical SMILES for N-[2-(5-oxo-3-propylsulfanyl-4H-1,2,4-triazin-6-yl)phenyl]propanamide is CCCSc1nnc(-c2ccccc2NC(=O)CC)c(=O)[nH]1.
What is the InChIKey of N-[2-(5-oxo-3-propylsulfanyl-4H-1,2,4-triazin-6-yl)phenyl]propanamide?
The InChIKey is NRNHLNMRHRNHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-3-9-22-15-17-14(21)13(18-19-15)10-7-5-6-8-11(10)16-12(20)4-2/h5-8H,3-4,9H2,1-2H3,(H,16,20)(H,17,19,21).
What are the key properties of N-[2-(5-oxo-3-propylsulfanyl-4H-1,2,4-triazin-6-yl)phenyl]propanamide?
N-[2-(5-oxo-3-propylsulfanyl-4H-1,2,4-triazin-6-yl)phenyl]propanamide has a molecular weight of 318.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-oxo-3-propylsulfanyl-4H-1,2,4-triazin-6-yl)phenyl]propanamide is sourced from PubChem (CID 135436886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).