2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone

C10H17N5OS — CID 4809879

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CSc1n[nH]c(N)n1
InChIInChI=1S/C10H17N5OS/c1-7-4-2-3-5-15(7)8(16)6-17-10-12-9(11)13-14-10/h7H,2-6H2,1H3,(H3,11,12,13,14)
InChIKeyQLPPOYAAXDYJCC-UHFFFAOYSA-N
MW255.35 g/mol
LogP0.88
Rot. Bonds3

About 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 4809879) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID4809879
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CSc1n[nH]c(N)n1
InChIInChI=1S/C10H17N5OS/c1-7-4-2-3-5-15(7)8(16)6-17-10-12-9(11)13-14-10/h7H,2-6H2,1H3,(H3,11,12,13,14)
InChIKeyQLPPOYAAXDYJCC-UHFFFAOYSA-N
XLogP0.88
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-(2-methylpiperidin-1-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 18134239
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 7571457
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone
CID 3895182
2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 2668158
2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 2084912
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone
CID 43213316
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone
CID 166368245
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone
CID 3221525
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 3974401
2-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 115979905
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8010779
N-acetyl-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 130735027

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone (CID 4809879) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)CSc1n[nH]c(N)n1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is QLPPOYAAXDYJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-7-4-2-3-5-15(7)8(16)6-17-10-12-9(11)13-14-10/h7H,2-6H2,1H3,(H3,11,12,13,14).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 255.35 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 4809879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).