5-(3-chlorobutan-2-yl)tetrazolo[1,5-a]pyrazine

C8H10ClN5 — CID 63202766

IUPAC5-(3-chlorobutan-2-yl)tetrazolo[1,5-a]pyrazine
SMILESCC(Cl)C(C)c1cncc2nnnn12
InChIInChI=1S/C8H10ClN5/c1-5(6(2)9)7-3-10-4-8-11-12-13-14(7)8/h3-6H,1-2H3
InChIKeyNOKWUYJHXIAQIT-UHFFFAOYSA-N
MW211.66 g/mol
LogP1.25
Rot. Bonds2

About 5-(3-chlorobutan-2-yl)tetrazolo[1,5-a]pyrazine

5-(3-chlorobutan-2-yl)tetrazolo[1,5-a]pyrazine (PubChem CID 63202766) has the molecular formula C8H10ClN5 and a molecular weight of 211.66 g/mol. Its IUPAC name is 5-(3-chlorobutan-2-yl)tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-(3-chlorobutan-2-yl)tetrazolo[1,5-a]pyrazine
PubChem CID63202766
Molecular FormulaC8H10ClN5
Molecular Weight211.66 g/mol
Exact Mass211.06
IUPAC Name5-(3-chlorobutan-2-yl)tetrazolo[1,5-a]pyrazine
SMILESCC(Cl)C(C)c1cncc2nnnn12
InChIInChI=1S/C8H10ClN5/c1-5(6(2)9)7-3-10-4-8-11-12-13-14(7)8/h3-6H,1-2H3
InChIKeyNOKWUYJHXIAQIT-UHFFFAOYSA-N
XLogP1.25
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.66
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(3-chlorobutan-2-yl)tetrazolo[1,5-a]pyrazine 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 5-(3-chlorobutan-2-yl)tetrazolo[1,5-a]pyrazine?
The IUPAC name of 5-(3-chlorobutan-2-yl)tetrazolo[1,5-a]pyrazine (CID 63202766) is 5-(3-chlorobutan-2-yl)tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-(3-chlorobutan-2-yl)tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-(3-chlorobutan-2-yl)tetrazolo[1,5-a]pyrazine is CC(Cl)C(C)c1cncc2nnnn12.
What is the InChIKey of 5-(3-chlorobutan-2-yl)tetrazolo[1,5-a]pyrazine?
The InChIKey is NOKWUYJHXIAQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5/c1-5(6(2)9)7-3-10-4-8-11-12-13-14(7)8/h3-6H,1-2H3.
What are the key properties of 5-(3-chlorobutan-2-yl)tetrazolo[1,5-a]pyrazine?
5-(3-chlorobutan-2-yl)tetrazolo[1,5-a]pyrazine has a molecular weight of 211.66 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorobutan-2-yl)tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 63202766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).