2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-propylacetamide

C10H13N5O2S — CID 135472841

IUPAC2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C10H13N5O2S/c1-2-3-11-7(16)5-18-10-13-8-6(4-12-15-8)9(17)14-10/h4H,2-3,5H2,1H3,(H,11,16)(H2,12,13,14,15,17)
InChIKeyZTFNBUUBOVFKKM-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.26
Rot. Bonds5

About 2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-propylacetamide

2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-propylacetamide (PubChem CID 135472841) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-propylacetamide
PubChem CID135472841
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C10H13N5O2S/c1-2-3-11-7(16)5-18-10-13-8-6(4-12-15-8)9(17)14-10/h4H,2-3,5H2,1H3,(H,11,16)(H2,12,13,14,15,17)
InChIKeyZTFNBUUBOVFKKM-UHFFFAOYSA-N
XLogP0.26
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-propylacetamide?
The IUPAC name of 2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-propylacetamide (CID 135472841) is 2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-propylacetamide.
What is the SMILES notation for 2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-propylacetamide?
The canonical SMILES for 2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-propylacetamide is CCCNC(=O)CSc1nc2[nH]ncc2c(=O)[nH]1.
What is the InChIKey of 2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-propylacetamide?
The InChIKey is ZTFNBUUBOVFKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-2-3-11-7(16)5-18-10-13-8-6(4-12-15-8)9(17)14-10/h4H,2-3,5H2,1H3,(H,11,16)(H2,12,13,14,15,17).
What are the key properties of 2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-propylacetamide?
2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-propylacetamide has a molecular weight of 267.31 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-propylacetamide is sourced from PubChem (CID 135472841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).