4-piperidin-1-yl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione

C10H13N5S — CID 135436397

IUPAC4-piperidin-1-yl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione
SMILESS=c1nc(N2CCCCC2)c2cn[nH]c2[nH]1
InChIInChI=1S/C10H13N5S/c16-10-12-8-7(6-11-14-8)9(13-10)15-4-2-1-3-5-15/h6H,1-5H2,(H2,11,12,13,14,16)
InChIKeyBOOXRPKWYUWMCD-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.01
Rot. Bonds1

About 4-piperidin-1-yl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione

4-piperidin-1-yl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione (PubChem CID 135436397) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 4-piperidin-1-yl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione.

Molecular Properties

Compound Name4-piperidin-1-yl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione
PubChem CID135436397
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name4-piperidin-1-yl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione
SMILESS=c1nc(N2CCCCC2)c2cn[nH]c2[nH]1
InChIInChI=1S/C10H13N5S/c16-10-12-8-7(6-11-14-8)9(13-10)15-4-2-1-3-5-15/h6H,1-5H2,(H2,11,12,13,14,16)
InChIKeyBOOXRPKWYUWMCD-UHFFFAOYSA-N
XLogP2.01
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione?
The IUPAC name of 4-piperidin-1-yl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione (CID 135436397) is 4-piperidin-1-yl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione.
What is the SMILES notation for 4-piperidin-1-yl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione?
The canonical SMILES for 4-piperidin-1-yl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione is S=c1nc(N2CCCCC2)c2cn[nH]c2[nH]1.
What is the InChIKey of 4-piperidin-1-yl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione?
The InChIKey is BOOXRPKWYUWMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c16-10-12-8-7(6-11-14-8)9(13-10)15-4-2-1-3-5-15/h6H,1-5H2,(H2,11,12,13,14,16).
What are the key properties of 4-piperidin-1-yl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione?
4-piperidin-1-yl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione has a molecular weight of 235.32 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione is sourced from PubChem (CID 135436397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).