1-ethyl-7H-pyrazolo[5,4-d]pyrimidine-4-thione

C7H8N4S — CID 139086892

IUPAC1-ethyl-7H-pyrazolo[5,4-d]pyrimidine-4-thione
SMILESCCn1ncc2c(=S)nc[nH]c21
InChIInChI=1S/C7H8N4S/c1-2-11-6-5(3-10-11)7(12)9-4-8-6/h3-4H,2H2,1H3,(H,8,9,12)
InChIKeyGYHMTBFZFWHDQN-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.51
Rot. Bonds1

About 1-ethyl-7H-pyrazolo[5,4-d]pyrimidine-4-thione

1-ethyl-7H-pyrazolo[5,4-d]pyrimidine-4-thione (PubChem CID 139086892) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 1-ethyl-7H-pyrazolo[5,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name1-ethyl-7H-pyrazolo[5,4-d]pyrimidine-4-thione
PubChem CID139086892
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name1-ethyl-7H-pyrazolo[5,4-d]pyrimidine-4-thione
SMILESCCn1ncc2c(=S)nc[nH]c21
InChIInChI=1S/C7H8N4S/c1-2-11-6-5(3-10-11)7(12)9-4-8-6/h3-4H,2H2,1H3,(H,8,9,12)
InChIKeyGYHMTBFZFWHDQN-UHFFFAOYSA-N
XLogP1.51
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
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 1-ethyl-7H-pyrazolo[5,4-d]pyrimidine-4-thione?
The IUPAC name of 1-ethyl-7H-pyrazolo[5,4-d]pyrimidine-4-thione (CID 139086892) is 1-ethyl-7H-pyrazolo[5,4-d]pyrimidine-4-thione.
What is the SMILES notation for 1-ethyl-7H-pyrazolo[5,4-d]pyrimidine-4-thione?
The canonical SMILES for 1-ethyl-7H-pyrazolo[5,4-d]pyrimidine-4-thione is CCn1ncc2c(=S)nc[nH]c21.
What is the InChIKey of 1-ethyl-7H-pyrazolo[5,4-d]pyrimidine-4-thione?
The InChIKey is GYHMTBFZFWHDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c1-2-11-6-5(3-10-11)7(12)9-4-8-6/h3-4H,2H2,1H3,(H,8,9,12).
What are the key properties of 1-ethyl-7H-pyrazolo[5,4-d]pyrimidine-4-thione?
1-ethyl-7H-pyrazolo[5,4-d]pyrimidine-4-thione has a molecular weight of 180.24 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7H-pyrazolo[5,4-d]pyrimidine-4-thione is sourced from PubChem (CID 139086892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).