2-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-5-methyl-1,2-oxazol-3-one

C9H11N5O3S — CID 54955504

IUPAC2-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-5-methyl-1,2-oxazol-3-one
SMILESCc1cc(=O)n(C(=O)CSc2nnc(N)n2C)o1
InChIInChI=1S/C9H11N5O3S/c1-5-3-6(15)14(17-5)7(16)4-18-9-12-11-8(10)13(9)2/h3H,4H2,1-2H3,(H2,10,11)
InChIKeyOITDDPRKTGXBJY-UHFFFAOYSA-N
MW269.29 g/mol
LogP-0.11
Rot. Bonds3

About 2-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-5-methyl-1,2-oxazol-3-one

2-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-5-methyl-1,2-oxazol-3-one (PubChem CID 54955504) has the molecular formula C9H11N5O3S and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-5-methyl-1,2-oxazol-3-one.

Molecular Properties

Compound Name2-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-5-methyl-1,2-oxazol-3-one
PubChem CID54955504
Molecular FormulaC9H11N5O3S
Molecular Weight269.29 g/mol
Exact Mass269.06
IUPAC Name2-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-5-methyl-1,2-oxazol-3-one
SMILESCc1cc(=O)n(C(=O)CSc2nnc(N)n2C)o1
InChIInChI=1S/C9H11N5O3S/c1-5-3-6(15)14(17-5)7(16)4-18-9-12-11-8(10)13(9)2/h3H,4H2,1-2H3,(H2,10,11)
InChIKeyOITDDPRKTGXBJY-UHFFFAOYSA-N
XLogP-0.11
TPSA108.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-5-methyl-1,2-oxazol-3-one with MolForge

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Related Compounds

2-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]-5-methyl-1,2-oxazol-3-one
CID 66149817
2-[2-(2-amino-5-fluorophenyl)sulfanylacetyl]-5-methyl-1,2-oxazol-3-one
CID 79148892
1-(4-acetylpiperazin-1-yl)-2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 61468039
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone
CID 55029412
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 47158239
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 54955754
N'-acetyl-2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
CID 61468986
1-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid
CID 62657239
5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide
CID 63589938
2-amino-3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
CID 65442021
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 60733571
4-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-chlorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-5-methyl-1,2-oxazol-3-one?
The IUPAC name of 2-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-5-methyl-1,2-oxazol-3-one (CID 54955504) is 2-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-5-methyl-1,2-oxazol-3-one.
What is the SMILES notation for 2-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-5-methyl-1,2-oxazol-3-one?
The canonical SMILES for 2-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-5-methyl-1,2-oxazol-3-one is Cc1cc(=O)n(C(=O)CSc2nnc(N)n2C)o1.
What is the InChIKey of 2-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-5-methyl-1,2-oxazol-3-one?
The InChIKey is OITDDPRKTGXBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3S/c1-5-3-6(15)14(17-5)7(16)4-18-9-12-11-8(10)13(9)2/h3H,4H2,1-2H3,(H2,10,11).
What are the key properties of 2-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-5-methyl-1,2-oxazol-3-one?
2-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-5-methyl-1,2-oxazol-3-one has a molecular weight of 269.29 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-5-methyl-1,2-oxazol-3-one is sourced from PubChem (CID 54955504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).