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

C5H4N4S2 — CID 135523674

IUPAC1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dithione
SMILESS=c1[nH]c(=S)c2cn[nH]c2[nH]1
InChIInChI=1S/C5H4N4S2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
InChIKeyAXTGUDOELRNMOD-UHFFFAOYSA-N
MW184.25 g/mol
LogP1.68
Rot. Bonds

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

1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dithione (PubChem CID 135523674) has the molecular formula C5H4N4S2 and a molecular weight of 184.25 g/mol. Its IUPAC name is 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dithione.

Molecular Properties

Compound Name1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dithione
PubChem CID135523674
Molecular FormulaC5H4N4S2
Molecular Weight184.25 g/mol
Exact Mass183.99
IUPAC Name1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dithione
SMILESS=c1[nH]c(=S)c2cn[nH]c2[nH]1
InChIInChI=1S/C5H4N4S2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
InChIKeyAXTGUDOELRNMOD-UHFFFAOYSA-N
XLogP1.68
TPSA60.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tisopurine
CID 135445058
4-Hydroxy-6-mercaptopyrazolo(3,4-d)pyrimidine
CID 135474990
1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6(2H,5H)-dithione
CID 135455255
Oxithiopurinol
CID 135443392
4,5,6,7-tetrahydro-1H-pyrazolo[5,4-d]pyrimidine
CID 136381631
6-Amino-1H-pyrazolo[3,4-d]pyrimidine-4(5H)-thione
CID 135506148
6-(Dimethylamino)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione
CID 135431270
4-Ethylthiopyrazolo[3,4-d]pyrimidin-6-thion
CID 135436393
1-tert-butyl-3-(4-methyl-1H-pyrazol-5-yl)thiourea
CID 89227976
4-Hydrazino-6-thioxopyrazolo[3,4-d]pyrimidine
CID 135436411
1,7-Dihydropyrazolo[5,4-d]pyrimidine-6,6-dithiol
CID 136136508
Pyrazolo[3,4-d]pyrimidine-6(7h)-thione
CID 136349603

Frequently Asked Questions

What is the IUPAC name of 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dithione?
The IUPAC name of 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dithione (CID 135523674) is 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dithione.
What is the SMILES notation for 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dithione?
The canonical SMILES for 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dithione is S=c1[nH]c(=S)c2cn[nH]c2[nH]1.
What is the InChIKey of 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dithione?
The InChIKey is AXTGUDOELRNMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4S2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11).
What are the key properties of 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dithione?
1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dithione has a molecular weight of 184.25 g/mol, XLogP of 1.68, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dithione is sourced from PubChem (CID 135523674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).