2-[7-amino-2-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl-N-cyclohexylacetamide

C17H20N6O2S — CID 139606315

IUPAC2-[7-amino-2-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl-N-cyclohexylacetamide
SMILESNc1cc2nc(-c3ccco3)nc(SCC(=O)NC3CCCCC3)n2n1
InChIInChI=1S/C17H20N6O2S/c18-13-9-14-20-16(12-7-4-8-25-12)21-17(23(14)22-13)26-10-15(24)19-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H2,18,22)(H,19,24)
InChIKeyGKINAEVMJYHFRS-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.51
Rot. Bonds5

About 2-[7-amino-2-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl-N-cyclohexylacetamide

2-[7-amino-2-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl-N-cyclohexylacetamide (PubChem CID 139606315) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-[7-amino-2-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[7-amino-2-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl-N-cyclohexylacetamide
PubChem CID139606315
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC Name2-[7-amino-2-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl-N-cyclohexylacetamide
SMILESNc1cc2nc(-c3ccco3)nc(SCC(=O)NC3CCCCC3)n2n1
InChIInChI=1S/C17H20N6O2S/c18-13-9-14-20-16(12-7-4-8-25-12)21-17(23(14)22-13)26-10-15(24)19-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H2,18,22)(H,19,24)
InChIKeyGKINAEVMJYHFRS-UHFFFAOYSA-N
XLogP2.51
TPSA111.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-[[2-(furan-2-yl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]acetamide
CID 27373732
N-cycloheptyl-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19724317
N-cycloheptyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 42140432
N-cycloheptyl-2-[[4-(4-ethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 23744070
ethyl 4-[2-[(1-ethylpiperidin-4-yl)amino]-2-oxoethyl]sulfanyl-2-(furan-2-yl)-6-methylpyrimidine-5-carboxylate
CID 43047822
N-(cyclohexylcarbamoyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4813014
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 55490706
7-[chloro(difluoro)methyl]-N-cycloheptyl-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1045909
N-cyclooctyl-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 37282895
methyl 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate
CID 55322200
N-(cyclohexylcarbamoyl)-2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16513585
N-cyclohexyl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256646

Frequently Asked Questions

What is the IUPAC name of 2-[7-amino-2-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl-N-cyclohexylacetamide?
The IUPAC name of 2-[7-amino-2-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl-N-cyclohexylacetamide (CID 139606315) is 2-[7-amino-2-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl-N-cyclohexylacetamide.
What is the SMILES notation for 2-[7-amino-2-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl-N-cyclohexylacetamide?
The canonical SMILES for 2-[7-amino-2-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl-N-cyclohexylacetamide is Nc1cc2nc(-c3ccco3)nc(SCC(=O)NC3CCCCC3)n2n1.
What is the InChIKey of 2-[7-amino-2-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl-N-cyclohexylacetamide?
The InChIKey is GKINAEVMJYHFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c18-13-9-14-20-16(12-7-4-8-25-12)21-17(23(14)22-13)26-10-15(24)19-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H2,18,22)(H,19,24).
What are the key properties of 2-[7-amino-2-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl-N-cyclohexylacetamide?
2-[7-amino-2-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl-N-cyclohexylacetamide has a molecular weight of 372.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-amino-2-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl-N-cyclohexylacetamide is sourced from PubChem (CID 139606315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).