N-(1H-indazol-6-yl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C16H14N8OS — CID 2218950

IUPACN-(1H-indazol-6-yl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1c(SCC(=O)Nc2ccc3cn[nH]c3c2)nnc1-c1cnccn1
InChIInChI=1S/C16H14N8OS/c1-24-15(13-8-17-4-5-18-13)22-23-16(24)26-9-14(25)20-11-3-2-10-7-19-21-12(10)6-11/h2-8H,9H2,1H3,(H,19,21)(H,20,25)
InChIKeyZZDZMCCUDSKBHJ-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.88
Rot. Bonds5

About N-(1H-indazol-6-yl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(1H-indazol-6-yl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2218950) has the molecular formula C16H14N8OS and a molecular weight of 366.41 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2218950
Molecular FormulaC16H14N8OS
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC NameN-(1H-indazol-6-yl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1c(SCC(=O)Nc2ccc3cn[nH]c3c2)nnc1-c1cnccn1
InChIInChI=1S/C16H14N8OS/c1-24-15(13-8-17-4-5-18-13)22-23-16(24)26-9-14(25)20-11-3-2-10-7-19-21-12(10)6-11/h2-8H,9H2,1H3,(H,19,21)(H,20,25)
InChIKeyZZDZMCCUDSKBHJ-UHFFFAOYSA-N
XLogP1.88
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(1H-indazol-6-yl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2218950) is N-(1H-indazol-6-yl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1H-indazol-6-yl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cn1c(SCC(=O)Nc2ccc3cn[nH]c3c2)nnc1-c1cnccn1.
What is the InChIKey of N-(1H-indazol-6-yl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is ZZDZMCCUDSKBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8OS/c1-24-15(13-8-17-4-5-18-13)22-23-16(24)26-9-14(25)20-11-3-2-10-7-19-21-12(10)6-11/h2-8H,9H2,1H3,(H,19,21)(H,20,25).
What are the key properties of N-(1H-indazol-6-yl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(1H-indazol-6-yl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 366.41 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2218950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).