N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C15H15N7OS — CID 123820160

IUPACN-(2,1,3-benzoxadiazol-4-ylmethyl)-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCc1cnn2c(NCc3cccc4nonc34)nc(SC)nc12
InChIInChI=1S/C15H15N7OS/c1-3-9-8-17-22-13(9)18-15(24-2)19-14(22)16-7-10-5-4-6-11-12(10)21-23-20-11/h4-6,8H,3,7H2,1-2H3,(H,16,18,19)
InChIKeyDOVGSMLJUIASRM-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.56
Rot. Bonds5

About N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 123820160) has the molecular formula C15H15N7OS and a molecular weight of 341.40 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-4-ylmethyl)-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID123820160
Molecular FormulaC15H15N7OS
Molecular Weight341.40 g/mol
Exact Mass341.11
IUPAC NameN-(2,1,3-benzoxadiazol-4-ylmethyl)-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCc1cnn2c(NCc3cccc4nonc34)nc(SC)nc12
InChIInChI=1S/C15H15N7OS/c1-3-9-8-17-22-13(9)18-15(24-2)19-14(22)16-7-10-5-4-6-11-12(10)21-23-20-11/h4-6,8H,3,7H2,1-2H3,(H,16,18,19)
InChIKeyDOVGSMLJUIASRM-UHFFFAOYSA-N
XLogP2.56
TPSA94.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 123820160) is N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCc1cnn2c(NCc3cccc4nonc34)nc(SC)nc12.
What is the InChIKey of N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is DOVGSMLJUIASRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7OS/c1-3-9-8-17-22-13(9)18-15(24-2)19-14(22)16-7-10-5-4-6-11-12(10)21-23-20-11/h4-6,8H,3,7H2,1-2H3,(H,16,18,19).
What are the key properties of N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 341.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 123820160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).