8-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine

C13H12BrN7 — CID 138019708

IUPAC8-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine
SMILESBrc1cncc(C2CCCN2c2nccn3nnnc23)c1
InChIInChI=1S/C13H12BrN7/c14-10-6-9(7-15-8-10)11-2-1-4-20(11)12-13-17-18-19-21(13)5-3-16-12/h3,5-8,11H,1-2,4H2
InChIKeyNEPZMCPTMRCPQK-UHFFFAOYSA-N
MW346.19 g/mol
LogP2.02
Rot. Bonds2

About 8-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine

8-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine (PubChem CID 138019708) has the molecular formula C13H12BrN7 and a molecular weight of 346.19 g/mol. Its IUPAC name is 8-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine
PubChem CID138019708
Molecular FormulaC13H12BrN7
Molecular Weight346.19 g/mol
Exact Mass345.03
IUPAC Name8-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine
SMILESBrc1cncc(C2CCCN2c2nccn3nnnc23)c1
InChIInChI=1S/C13H12BrN7/c14-10-6-9(7-15-8-10)11-2-1-4-20(11)12-13-17-18-19-21(13)5-3-16-12/h3,5-8,11H,1-2,4H2
InChIKeyNEPZMCPTMRCPQK-UHFFFAOYSA-N
XLogP2.02
TPSA72.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine?
The IUPAC name of 8-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine (CID 138019708) is 8-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 8-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 8-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine is Brc1cncc(C2CCCN2c2nccn3nnnc23)c1.
What is the InChIKey of 8-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine?
The InChIKey is NEPZMCPTMRCPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN7/c14-10-6-9(7-15-8-10)11-2-1-4-20(11)12-13-17-18-19-21(13)5-3-16-12/h3,5-8,11H,1-2,4H2.
What are the key properties of 8-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine?
8-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine has a molecular weight of 346.19 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 138019708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).