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

C6H5N3S — CID 12726128

IUPAC1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESS=c1ccnc2cc[nH]n12
InChIInChI=1S/C6H5N3S/c10-6-2-3-7-5-1-4-8-9(5)6/h1-4,8H
InChIKeyHJAGJZYRBQEOJC-UHFFFAOYSA-N
MW151.19 g/mol
LogP1.39
Rot. Bonds

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

1H-pyrazolo[1,5-a]pyrimidine-7-thione (PubChem CID 12726128) has the molecular formula C6H5N3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 1H-pyrazolo[1,5-a]pyrimidine-7-thione.

Molecular Properties

Compound Name1H-pyrazolo[1,5-a]pyrimidine-7-thione
PubChem CID12726128
Molecular FormulaC6H5N3S
Molecular Weight151.19 g/mol
Exact Mass151.02
IUPAC Name1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESS=c1ccnc2cc[nH]n12
InChIInChI=1S/C6H5N3S/c10-6-2-3-7-5-1-4-8-9(5)6/h1-4,8H
InChIKeyHJAGJZYRBQEOJC-UHFFFAOYSA-N
XLogP1.39
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The IUPAC name of 1H-pyrazolo[1,5-a]pyrimidine-7-thione (CID 12726128) is 1H-pyrazolo[1,5-a]pyrimidine-7-thione.
What is the SMILES notation for 1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The canonical SMILES for 1H-pyrazolo[1,5-a]pyrimidine-7-thione is S=c1ccnc2cc[nH]n12.
What is the InChIKey of 1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The InChIKey is HJAGJZYRBQEOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S/c10-6-2-3-7-5-1-4-8-9(5)6/h1-4,8H.
What are the key properties of 1H-pyrazolo[1,5-a]pyrimidine-7-thione?
1H-pyrazolo[1,5-a]pyrimidine-7-thione has a molecular weight of 151.19 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazolo[1,5-a]pyrimidine-7-thione is sourced from PubChem (CID 12726128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).