2-ethylsulfanyl-4-(furan-2-yl)-7-phenylpyrazolo[1,5-a][1,3,5]triazine

C17H14N4OS — CID 71517746

IUPAC2-ethylsulfanyl-4-(furan-2-yl)-7-phenylpyrazolo[1,5-a][1,3,5]triazine
SMILESCCSc1nc(-c2ccco2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C17H14N4OS/c1-2-23-17-18-15-11-13(12-7-4-3-5-8-12)20-21(15)16(19-17)14-9-6-10-22-14/h3-11H,2H2,1H3
InChIKeyGOIJYBDXLXUJHL-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.16
Rot. Bonds4

About 2-ethylsulfanyl-4-(furan-2-yl)-7-phenylpyrazolo[1,5-a][1,3,5]triazine

2-ethylsulfanyl-4-(furan-2-yl)-7-phenylpyrazolo[1,5-a][1,3,5]triazine (PubChem CID 71517746) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-ethylsulfanyl-4-(furan-2-yl)-7-phenylpyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name2-ethylsulfanyl-4-(furan-2-yl)-7-phenylpyrazolo[1,5-a][1,3,5]triazine
PubChem CID71517746
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name2-ethylsulfanyl-4-(furan-2-yl)-7-phenylpyrazolo[1,5-a][1,3,5]triazine
SMILESCCSc1nc(-c2ccco2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C17H14N4OS/c1-2-23-17-18-15-11-13(12-7-4-3-5-8-12)20-21(15)16(19-17)14-9-6-10-22-14/h3-11H,2H2,1H3
InChIKeyGOIJYBDXLXUJHL-UHFFFAOYSA-N
XLogP4.16
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_pyridine_A(1)', 'substructure': 'N/A'}

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Related Compounds

2-ethylsulfanyl-4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine
CID 102460581
2-(dichloromethyl)-7-(4-fluorophenyl)-4-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine
CID 139582726
7-(furan-2-yl)-2,4-dimethylpyrazolo[1,5-a][1,3,5]triazine
CID 13424971
N'-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N'-dimethylethane-1,2-diamine
CID 45489720
2-(furan-2-yl)-7-methyl-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040536
N-(furan-2-ylmethyl)-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079602
2-[2-(furan-2-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 82269761
2-[[5-(furan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19724459
5-(1-ethylpiperidin-4-yl)-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 46953383
N-[(2S)-butan-2-yl]-7-ethyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 95058555
ethyl 7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 42877149
2-(furan-2-yl)-6-phenyl-N-propylpyrimidin-4-amine
CID 63485214

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4-(furan-2-yl)-7-phenylpyrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 2-ethylsulfanyl-4-(furan-2-yl)-7-phenylpyrazolo[1,5-a][1,3,5]triazine (CID 71517746) is 2-ethylsulfanyl-4-(furan-2-yl)-7-phenylpyrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 2-ethylsulfanyl-4-(furan-2-yl)-7-phenylpyrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 2-ethylsulfanyl-4-(furan-2-yl)-7-phenylpyrazolo[1,5-a][1,3,5]triazine is CCSc1nc(-c2ccco2)n2nc(-c3ccccc3)cc2n1.
What is the InChIKey of 2-ethylsulfanyl-4-(furan-2-yl)-7-phenylpyrazolo[1,5-a][1,3,5]triazine?
The InChIKey is GOIJYBDXLXUJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-2-23-17-18-15-11-13(12-7-4-3-5-8-12)20-21(15)16(19-17)14-9-6-10-22-14/h3-11H,2H2,1H3.
What are the key properties of 2-ethylsulfanyl-4-(furan-2-yl)-7-phenylpyrazolo[1,5-a][1,3,5]triazine?
2-ethylsulfanyl-4-(furan-2-yl)-7-phenylpyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 322.39 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4-(furan-2-yl)-7-phenylpyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 71517746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).