2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione

C9H11N3S — CID 82270161

IUPAC2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCc1cc2nc(C)c(C)c(=S)n2[nH]1
InChIInChI=1S/C9H11N3S/c1-5-4-8-10-7(3)6(2)9(13)12(8)11-5/h4,11H,1-3H3
InChIKeyBHTLZKJAMOPNOG-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.32
Rot. Bonds

About 2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione

2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (PubChem CID 82270161) has the molecular formula C9H11N3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.

Molecular Properties

Compound Name2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
PubChem CID82270161
Molecular FormulaC9H11N3S
Molecular Weight193.27 g/mol
Exact Mass193.07
IUPAC Name2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCc1cc2nc(C)c(C)c(=S)n2[nH]1
InChIInChI=1S/C9H11N3S/c1-5-4-8-10-7(3)6(2)9(13)12(8)11-5/h4,11H,1-3H3
InChIKeyBHTLZKJAMOPNOG-UHFFFAOYSA-N
XLogP2.32
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.32
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 2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The IUPAC name of 2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (CID 82270161) is 2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.
What is the SMILES notation for 2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The canonical SMILES for 2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is Cc1cc2nc(C)c(C)c(=S)n2[nH]1.
What is the InChIKey of 2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The InChIKey is BHTLZKJAMOPNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-5-4-8-10-7(3)6(2)9(13)12(8)11-5/h4,11H,1-3H3.
What are the key properties of 2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione has a molecular weight of 193.27 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is sourced from PubChem (CID 82270161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).