3-amino-1H-pyrazolo[1,5-a]pyrimidine-7-thione

C6H6N4S — CID 164541034

IUPAC3-amino-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESNc1c[nH]n2c(=S)ccnc12
InChIInChI=1S/C6H6N4S/c7-4-3-9-10-5(11)1-2-8-6(4)10/h1-3,9H,7H2
InChIKeyVKRHNSAPYIOFNH-UHFFFAOYSA-N
MW166.21 g/mol
LogP0.97
Rot. Bonds

About 3-amino-1H-pyrazolo[1,5-a]pyrimidine-7-thione

3-amino-1H-pyrazolo[1,5-a]pyrimidine-7-thione (PubChem CID 164541034) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is 3-amino-1H-pyrazolo[1,5-a]pyrimidine-7-thione.

Molecular Properties

Compound Name3-amino-1H-pyrazolo[1,5-a]pyrimidine-7-thione
PubChem CID164541034
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Name3-amino-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESNc1c[nH]n2c(=S)ccnc12
InChIInChI=1S/C6H6N4S/c7-4-3-9-10-5(11)1-2-8-6(4)10/h1-3,9H,7H2
InChIKeyVKRHNSAPYIOFNH-UHFFFAOYSA-N
XLogP0.97
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 50.97
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 3-amino-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The IUPAC name of 3-amino-1H-pyrazolo[1,5-a]pyrimidine-7-thione (CID 164541034) is 3-amino-1H-pyrazolo[1,5-a]pyrimidine-7-thione.
What is the SMILES notation for 3-amino-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The canonical SMILES for 3-amino-1H-pyrazolo[1,5-a]pyrimidine-7-thione is Nc1c[nH]n2c(=S)ccnc12.
What is the InChIKey of 3-amino-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The InChIKey is VKRHNSAPYIOFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c7-4-3-9-10-5(11)1-2-8-6(4)10/h1-3,9H,7H2.
What are the key properties of 3-amino-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
3-amino-1H-pyrazolo[1,5-a]pyrimidine-7-thione has a molecular weight of 166.21 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1H-pyrazolo[1,5-a]pyrimidine-7-thione is sourced from PubChem (CID 164541034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).