2-methylsulfanyl-6-nitropyrazolo[1,5-a]pyrimidine

C7H6N4O2S — CID 67052509

IUPAC2-methylsulfanyl-6-nitropyrazolo[1,5-a]pyrimidine
SMILESCSc1cc2ncc([N+](=O)[O-])cn2n1
InChIInChI=1S/C7H6N4O2S/c1-14-7-2-6-8-3-5(11(12)13)4-10(6)9-7/h2-4H,1H3
InChIKeyGTOXQYLSYOAHMV-UHFFFAOYSA-N
MW210.22 g/mol
LogP1.36
Rot. Bonds2

About 2-methylsulfanyl-6-nitropyrazolo[1,5-a]pyrimidine

2-methylsulfanyl-6-nitropyrazolo[1,5-a]pyrimidine (PubChem CID 67052509) has the molecular formula C7H6N4O2S and a molecular weight of 210.22 g/mol. Its IUPAC name is 2-methylsulfanyl-6-nitropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methylsulfanyl-6-nitropyrazolo[1,5-a]pyrimidine
PubChem CID67052509
Molecular FormulaC7H6N4O2S
Molecular Weight210.22 g/mol
Exact Mass210.02
IUPAC Name2-methylsulfanyl-6-nitropyrazolo[1,5-a]pyrimidine
SMILESCSc1cc2ncc([N+](=O)[O-])cn2n1
InChIInChI=1S/C7H6N4O2S/c1-14-7-2-6-8-3-5(11(12)13)4-10(6)9-7/h2-4H,1H3
InChIKeyGTOXQYLSYOAHMV-UHFFFAOYSA-N
XLogP1.36
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methylsulfanyl-6-nitropyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-nitropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methylsulfanyl-6-nitropyrazolo[1,5-a]pyrimidine (CID 67052509) is 2-methylsulfanyl-6-nitropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methylsulfanyl-6-nitropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methylsulfanyl-6-nitropyrazolo[1,5-a]pyrimidine is CSc1cc2ncc([N+](=O)[O-])cn2n1.
What is the InChIKey of 2-methylsulfanyl-6-nitropyrazolo[1,5-a]pyrimidine?
The InChIKey is GTOXQYLSYOAHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2S/c1-14-7-2-6-8-3-5(11(12)13)4-10(6)9-7/h2-4H,1H3.
What are the key properties of 2-methylsulfanyl-6-nitropyrazolo[1,5-a]pyrimidine?
2-methylsulfanyl-6-nitropyrazolo[1,5-a]pyrimidine has a molecular weight of 210.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-nitropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 67052509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).