N,N-diethyl-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide

C15H18N4O2S — CID 135996837

IUPACN,N-diethyl-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nnc(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C15H18N4O2S/c1-3-19(4-2)12(20)10-22-15-16-14(21)13(17-18-15)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,16,18,21)
InChIKeyQTVMAKPMZXEOCF-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.79
Rot. Bonds6

About N,N-diethyl-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide

N,N-diethyl-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (PubChem CID 135996837) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N,N-diethyl-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
PubChem CID135996837
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN,N-diethyl-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nnc(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C15H18N4O2S/c1-3-19(4-2)12(20)10-22-15-16-14(21)13(17-18-15)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,16,18,21)
InChIKeyQTVMAKPMZXEOCF-UHFFFAOYSA-N
XLogP1.79
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (CID 135996837) is N,N-diethyl-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is CCN(CC)C(=O)CSc1nnc(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of N,N-diethyl-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The InChIKey is QTVMAKPMZXEOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-3-19(4-2)12(20)10-22-15-16-14(21)13(17-18-15)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,16,18,21).
What are the key properties of N,N-diethyl-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
N,N-diethyl-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide has a molecular weight of 318.40 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 135996837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).