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

C5H5N5S — CID 135506148

IUPAC6-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione
SMILESNc1nc(=S)c2cn[nH]c2[nH]1
InChIInChI=1S/C5H5N5S/c6-5-8-3-2(1-7-10-3)4(11)9-5/h1H,(H4,6,7,8,9,10,11)
InChIKeyCEQNENJYRNPLPQ-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.60
Rot. Bonds

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

6-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione (PubChem CID 135506148) has the molecular formula C5H5N5S and a molecular weight of 167.20 g/mol. Its IUPAC name is 6-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name6-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione
PubChem CID135506148
Molecular FormulaC5H5N5S
Molecular Weight167.20 g/mol
Exact Mass167.03
IUPAC Name6-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione
SMILESNc1nc(=S)c2cn[nH]c2[nH]1
InChIInChI=1S/C5H5N5S/c6-5-8-3-2(1-7-10-3)4(11)9-5/h1H,(H4,6,7,8,9,10,11)
InChIKeyCEQNENJYRNPLPQ-UHFFFAOYSA-N
XLogP0.60
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.60
H-Bond Donors ≤ 53
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 6-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione?
The IUPAC name of 6-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione (CID 135506148) is 6-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione.
What is the SMILES notation for 6-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione?
The canonical SMILES for 6-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione is Nc1nc(=S)c2cn[nH]c2[nH]1.
What is the InChIKey of 6-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione?
The InChIKey is CEQNENJYRNPLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5S/c6-5-8-3-2(1-7-10-3)4(11)9-5/h1H,(H4,6,7,8,9,10,11).
What are the key properties of 6-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione?
6-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione has a molecular weight of 167.20 g/mol, XLogP of 0.60, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione is sourced from PubChem (CID 135506148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).