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

C5H4N4S — CID 135445058

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IUPAC1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione
SMILESS=c1nc[nH]c2[nH]ncc12
InChIInChI=1S/C5H4N4S/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
InChIKeyPYAOPMWCFSVFOT-UHFFFAOYSA-N
MW152.18 g/mol
LogP1.02
Rot. Bonds

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

1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione (PubChem CID 135445058) has the molecular formula C5H4N4S and a molecular weight of 152.18 g/mol. Its IUPAC name is 1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione
PubChem CID135445058
Molecular FormulaC5H4N4S
Molecular Weight152.18 g/mol
Exact Mass152.02
IUPAC Name1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione
SMILESS=c1nc[nH]c2[nH]ncc12
InChIInChI=1S/C5H4N4S/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
InChIKeyPYAOPMWCFSVFOT-UHFFFAOYSA-N
XLogP1.02
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4-thiol
CID 135408740
6-chloro-1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4-thione
CID 135431254
3-Amino-N-methyl-1H-pyrazole-4-carbimidothioic acid
CID 10534918
5-methyl-1H-pyrazolo[5,4-d]pyrimidine-4-thione
CID 10678639
1H-pyrazolo[3,4-d]pyrimidine-4,6(2H,5H)-dithione
CID 135523674
1,7-Dihydropyrazolo[5,4-d]pyrimidine-4-thione;hydrate
CID 135590899
6-(Trifluoromethyl)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione
CID 135408619
4-Piperidinopyrazolo[3,4-d]pyrimidin-6-thion
CID 135436397
N-(4-fluoro-1H-pyrazol-5-yl)-N'-methylmethanimidamide
CID 89419649
6-Fluoro-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione
CID 136593381
N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]methanethioamide
CID 175489565
6-Chloro-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione
CID 135431253

Frequently Asked Questions

What is the IUPAC name of 1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione?
The IUPAC name of 1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione (CID 135445058) is 1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione.
What is the SMILES notation for 1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione?
The canonical SMILES for 1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione is S=c1nc[nH]c2[nH]ncc12.
What is the InChIKey of 1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione?
The InChIKey is PYAOPMWCFSVFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4S/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10).
What are the key properties of 1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione?
1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione has a molecular weight of 152.18 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 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-thione is sourced from PubChem (CID 135445058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).