2-[(7-oxo-2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]-N,N-dipropylacetamide

C19H23N5O2S — CID 46337717

IUPAC2-[(7-oxo-2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CSc1nc(-c2ccccc2)nc2cc(=O)[nH]n12
InChIInChI=1S/C19H23N5O2S/c1-3-10-23(11-4-2)17(26)13-27-19-21-18(14-8-6-5-7-9-14)20-15-12-16(25)22-24(15)19/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,22,25)
InChIKeyULPPUBUDCMBIEL-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.83
Rot. Bonds8

About 2-[(7-oxo-2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]-N,N-dipropylacetamide

2-[(7-oxo-2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]-N,N-dipropylacetamide (PubChem CID 46337717) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-[(7-oxo-2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[(7-oxo-2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]-N,N-dipropylacetamide
PubChem CID46337717
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name2-[(7-oxo-2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CSc1nc(-c2ccccc2)nc2cc(=O)[nH]n12
InChIInChI=1S/C19H23N5O2S/c1-3-10-23(11-4-2)17(26)13-27-19-21-18(14-8-6-5-7-9-14)20-15-12-16(25)22-24(15)19/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,22,25)
InChIKeyULPPUBUDCMBIEL-UHFFFAOYSA-N
XLogP2.83
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-oxo-2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]-N,N-dipropylacetamide?
The IUPAC name of 2-[(7-oxo-2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]-N,N-dipropylacetamide (CID 46337717) is 2-[(7-oxo-2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[(7-oxo-2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[(7-oxo-2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CSc1nc(-c2ccccc2)nc2cc(=O)[nH]n12.
What is the InChIKey of 2-[(7-oxo-2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]-N,N-dipropylacetamide?
The InChIKey is ULPPUBUDCMBIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-3-10-23(11-4-2)17(26)13-27-19-21-18(14-8-6-5-7-9-14)20-15-12-16(25)22-24(15)19/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,22,25).
What are the key properties of 2-[(7-oxo-2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]-N,N-dipropylacetamide?
2-[(7-oxo-2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]-N,N-dipropylacetamide has a molecular weight of 385.49 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-oxo-2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]-N,N-dipropylacetamide is sourced from PubChem (CID 46337717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).