5-(4-chlorobutan-2-ylsulfanyl)tetrazolo[1,5-a]pyrazine

C8H10ClN5S — CID 66136751

IUPAC5-(4-chlorobutan-2-ylsulfanyl)tetrazolo[1,5-a]pyrazine
SMILESCC(CCCl)Sc1cncc2nnnn12
InChIInChI=1S/C8H10ClN5S/c1-6(2-3-9)15-8-5-10-4-7-11-12-13-14(7)8/h4-6H,2-3H2,1H3
InChIKeyHPQRGHGPYOCFLR-UHFFFAOYSA-N
MW243.72 g/mol
LogP1.63
Rot. Bonds4

About 5-(4-chlorobutan-2-ylsulfanyl)tetrazolo[1,5-a]pyrazine

5-(4-chlorobutan-2-ylsulfanyl)tetrazolo[1,5-a]pyrazine (PubChem CID 66136751) has the molecular formula C8H10ClN5S and a molecular weight of 243.72 g/mol. Its IUPAC name is 5-(4-chlorobutan-2-ylsulfanyl)tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-(4-chlorobutan-2-ylsulfanyl)tetrazolo[1,5-a]pyrazine
PubChem CID66136751
Molecular FormulaC8H10ClN5S
Molecular Weight243.72 g/mol
Exact Mass243.03
IUPAC Name5-(4-chlorobutan-2-ylsulfanyl)tetrazolo[1,5-a]pyrazine
SMILESCC(CCCl)Sc1cncc2nnnn12
InChIInChI=1S/C8H10ClN5S/c1-6(2-3-9)15-8-5-10-4-7-11-12-13-14(7)8/h4-6H,2-3H2,1H3
InChIKeyHPQRGHGPYOCFLR-UHFFFAOYSA-N
XLogP1.63
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorobutan-2-ylsulfanyl)tetrazolo[1,5-a]pyrazine?
The IUPAC name of 5-(4-chlorobutan-2-ylsulfanyl)tetrazolo[1,5-a]pyrazine (CID 66136751) is 5-(4-chlorobutan-2-ylsulfanyl)tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-(4-chlorobutan-2-ylsulfanyl)tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-(4-chlorobutan-2-ylsulfanyl)tetrazolo[1,5-a]pyrazine is CC(CCCl)Sc1cncc2nnnn12.
What is the InChIKey of 5-(4-chlorobutan-2-ylsulfanyl)tetrazolo[1,5-a]pyrazine?
The InChIKey is HPQRGHGPYOCFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5S/c1-6(2-3-9)15-8-5-10-4-7-11-12-13-14(7)8/h4-6H,2-3H2,1H3.
What are the key properties of 5-(4-chlorobutan-2-ylsulfanyl)tetrazolo[1,5-a]pyrazine?
5-(4-chlorobutan-2-ylsulfanyl)tetrazolo[1,5-a]pyrazine has a molecular weight of 243.72 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorobutan-2-ylsulfanyl)tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 66136751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).