N-(5-chloro-2-pyridinyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide

C11H10ClN5O2S — CID 135468959

IUPACN-(5-chloro-2-pyridinyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc(Cl)cn2)[nH]c1=O
InChIInChI=1S/C11H10ClN5O2S/c1-6-10(19)15-11(17-16-6)20-5-9(18)14-8-3-2-7(12)4-13-8/h2-4H,5H2,1H3,(H,13,14,18)(H,15,17,19)
InChIKeyFEXILDSPWWOZPM-UHFFFAOYSA-N
MW311.75 g/mol
LogP1.25
Rot. Bonds4

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

N-(5-chloro-2-pyridinyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (PubChem CID 135468959) has the molecular formula C11H10ClN5O2S and a molecular weight of 311.75 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
PubChem CID135468959
Molecular FormulaC11H10ClN5O2S
Molecular Weight311.75 g/mol
Exact Mass311.02
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc(Cl)cn2)[nH]c1=O
InChIInChI=1S/C11H10ClN5O2S/c1-6-10(19)15-11(17-16-6)20-5-9(18)14-8-3-2-7(12)4-13-8/h2-4H,5H2,1H3,(H,13,14,18)(H,15,17,19)
InChIKeyFEXILDSPWWOZPM-UHFFFAOYSA-N
XLogP1.25
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (CID 135468959) is N-(5-chloro-2-pyridinyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)Nc2ccc(Cl)cn2)[nH]c1=O.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The InChIKey is FEXILDSPWWOZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O2S/c1-6-10(19)15-11(17-16-6)20-5-9(18)14-8-3-2-7(12)4-13-8/h2-4H,5H2,1H3,(H,13,14,18)(H,15,17,19).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
N-(5-chloro-2-pyridinyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide has a molecular weight of 311.75 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 135468959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).