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

C11H15ClN6 — CID 55185304

IUPAC5-[2-(3-chloropropyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine
SMILESClCCCC1CCCN1c1cncc2nnnn12
InChIInChI=1S/C11H15ClN6/c12-5-1-3-9-4-2-6-17(9)11-8-13-7-10-14-15-16-18(10)11/h7-9H,1-6H2
InChIKeyJPTLJUTXIHLOBJ-UHFFFAOYSA-N
MW266.74 g/mol
LogP1.51
Rot. Bonds4

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

5-[2-(3-chloropropyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine (PubChem CID 55185304) has the molecular formula C11H15ClN6 and a molecular weight of 266.74 g/mol. Its IUPAC name is 5-[2-(3-chloropropyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-[2-(3-chloropropyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine
PubChem CID55185304
Molecular FormulaC11H15ClN6
Molecular Weight266.74 g/mol
Exact Mass266.10
IUPAC Name5-[2-(3-chloropropyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine
SMILESClCCCC1CCCN1c1cncc2nnnn12
InChIInChI=1S/C11H15ClN6/c12-5-1-3-9-4-2-6-17(9)11-8-13-7-10-14-15-16-18(10)11/h7-9H,1-6H2
InChIKeyJPTLJUTXIHLOBJ-UHFFFAOYSA-N
XLogP1.51
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.74
LogP ≤ 51.51
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-[2-(3-chloropropyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine?
The IUPAC name of 5-[2-(3-chloropropyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine (CID 55185304) is 5-[2-(3-chloropropyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-[2-(3-chloropropyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-[2-(3-chloropropyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine is ClCCCC1CCCN1c1cncc2nnnn12.
What is the InChIKey of 5-[2-(3-chloropropyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine?
The InChIKey is JPTLJUTXIHLOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6/c12-5-1-3-9-4-2-6-17(9)11-8-13-7-10-14-15-16-18(10)11/h7-9H,1-6H2.
What are the key properties of 5-[2-(3-chloropropyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine?
5-[2-(3-chloropropyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine has a molecular weight of 266.74 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chloropropyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 55185304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).