1-phenyl-6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C16H15N7OS2 — CID 137272693

IUPAC1-phenyl-6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCNc1nnc(Sc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)s1
InChIInChI=1S/C16H15N7OS2/c1-2-8-17-14-21-22-16(25-14)26-15-19-12-11(13(24)20-15)9-18-23(12)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,17,21)(H,19,20,24)
InChIKeyFXEBNAAFNQJEKY-UHFFFAOYSA-N
MW385.48 g/mol
LogP2.93
Rot. Bonds6

About 1-phenyl-6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-phenyl-6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137272693) has the molecular formula C16H15N7OS2 and a molecular weight of 385.48 g/mol. Its IUPAC name is 1-phenyl-6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-phenyl-6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137272693
Molecular FormulaC16H15N7OS2
Molecular Weight385.48 g/mol
Exact Mass385.08
IUPAC Name1-phenyl-6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCNc1nnc(Sc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)s1
InChIInChI=1S/C16H15N7OS2/c1-2-8-17-14-21-22-16(25-14)26-15-19-12-11(13(24)20-15)9-18-23(12)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,17,21)(H,19,20,24)
InChIKeyFXEBNAAFNQJEKY-UHFFFAOYSA-N
XLogP2.93
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-phenyl-6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137272693) is 1-phenyl-6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-phenyl-6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-phenyl-6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCCNc1nnc(Sc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)s1.
What is the InChIKey of 1-phenyl-6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FXEBNAAFNQJEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7OS2/c1-2-8-17-14-21-22-16(25-14)26-15-19-12-11(13(24)20-15)9-18-23(12)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,17,21)(H,19,20,24).
What are the key properties of 1-phenyl-6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-phenyl-6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 385.48 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137272693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).