ethyl 2-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)sulfanylacetate

C15H15N5O2S — CID 13290921

IUPACethyl 2-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nnc2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C15H15N5O2S/c1-3-22-12(21)9-23-15-16-14-13(17-18-15)10(2)19-20(14)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyFNBZCMBPVJUFSE-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.17
Rot. Bonds5

About ethyl 2-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)sulfanylacetate

ethyl 2-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)sulfanylacetate (PubChem CID 13290921) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is ethyl 2-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)sulfanylacetate
PubChem CID13290921
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Nameethyl 2-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nnc2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C15H15N5O2S/c1-3-22-12(21)9-23-15-16-14-13(17-18-15)10(2)19-20(14)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyFNBZCMBPVJUFSE-UHFFFAOYSA-N
XLogP2.17
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-[4-(hydroxymethyl)-3-methyl-1-phenylpyrazol-5-yl]sulfanylacetate
CID 63834938
ethyl 2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
CID 3244188
ethyl 2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
CID 6415520
N',N'-diacetyl-N-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)acetohydrazide
CID 13381785
ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetate
CID 2963012
ethyl 2-(N-[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]anilino)acetate
CID 6413138
2-[(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)amino]ethanol
CID 13290926
ethyl 4-(hydroxymethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743036
[2-(dimethylamino)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetate
CID 8944764
ethyl 2-(4-aminoquinazolin-2-yl)sulfanylacetate
CID 45482820
ethyl 2-[[5-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 55336813
ethyl 2-[6-(ethoxymethyl)-3-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl]acetate
CID 127043620

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)sulfanylacetate (CID 13290921) is ethyl 2-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)sulfanylacetate is CCOC(=O)CSc1nnc2c(C)nn(-c3ccccc3)c2n1.
What is the InChIKey of ethyl 2-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)sulfanylacetate?
The InChIKey is FNBZCMBPVJUFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-3-22-12(21)9-23-15-16-14-13(17-18-15)10(2)19-20(14)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 2-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)sulfanylacetate?
ethyl 2-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)sulfanylacetate has a molecular weight of 329.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)sulfanylacetate is sourced from PubChem (CID 13290921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).