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

C12H17ClN6 — CID 112748206

IUPAC5-[2-(2-chloropropyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine
SMILESCC(Cl)CC1CCCCN1c1cncc2nnnn12
InChIInChI=1S/C12H17ClN6/c1-9(13)6-10-4-2-3-5-18(10)12-8-14-7-11-15-16-17-19(11)12/h7-10H,2-6H2,1H3
InChIKeyKTZXZYGWPJGDLW-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.90
Rot. Bonds3

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

5-[2-(2-chloropropyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine (PubChem CID 112748206) has the molecular formula C12H17ClN6 and a molecular weight of 280.76 g/mol. Its IUPAC name is 5-[2-(2-chloropropyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-[2-(2-chloropropyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine
PubChem CID112748206
Molecular FormulaC12H17ClN6
Molecular Weight280.76 g/mol
Exact Mass280.12
IUPAC Name5-[2-(2-chloropropyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine
SMILESCC(Cl)CC1CCCCN1c1cncc2nnnn12
InChIInChI=1S/C12H17ClN6/c1-9(13)6-10-4-2-3-5-18(10)12-8-14-7-11-15-16-17-19(11)12/h7-10H,2-6H2,1H3
InChIKeyKTZXZYGWPJGDLW-UHFFFAOYSA-N
XLogP1.90
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.90
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-(2-chloropropyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine?
The IUPAC name of 5-[2-(2-chloropropyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine (CID 112748206) is 5-[2-(2-chloropropyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-[2-(2-chloropropyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-[2-(2-chloropropyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine is CC(Cl)CC1CCCCN1c1cncc2nnnn12.
What is the InChIKey of 5-[2-(2-chloropropyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine?
The InChIKey is KTZXZYGWPJGDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN6/c1-9(13)6-10-4-2-3-5-18(10)12-8-14-7-11-15-16-17-19(11)12/h7-10H,2-6H2,1H3.
What are the key properties of 5-[2-(2-chloropropyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine?
5-[2-(2-chloropropyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine has a molecular weight of 280.76 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chloropropyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 112748206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).