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

C9H11ClN6 — CID 63389789

IUPAC5-[2-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine
SMILESClCC1CCCN1c1cncc2nnnn12
InChIInChI=1S/C9H11ClN6/c10-4-7-2-1-3-15(7)9-6-11-5-8-12-13-14-16(8)9/h5-7H,1-4H2
InChIKeyCAPZDCJAJVIQDP-UHFFFAOYSA-N
MW238.68 g/mol
LogP0.73
Rot. Bonds2

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

5-[2-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine (PubChem CID 63389789) has the molecular formula C9H11ClN6 and a molecular weight of 238.68 g/mol. Its IUPAC name is 5-[2-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-[2-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine
PubChem CID63389789
Molecular FormulaC9H11ClN6
Molecular Weight238.68 g/mol
Exact Mass238.07
IUPAC Name5-[2-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine
SMILESClCC1CCCN1c1cncc2nnnn12
InChIInChI=1S/C9H11ClN6/c10-4-7-2-1-3-15(7)9-6-11-5-8-12-13-14-16(8)9/h5-7H,1-4H2
InChIKeyCAPZDCJAJVIQDP-UHFFFAOYSA-N
XLogP0.73
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-(2,2-difluoroethyl)tetrazolo[1,5-a]pyrazin-5-amine
CID 107489756
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)tetrazolo[1,5-a]pyrazin-5-amine
CID 113965667
3-(8-Azabicyclo[3.2.1]octan-8-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
CID 139295612
3-(7-Azabicyclo[2.2.1]heptan-7-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
CID 139295661
8-Chloro-3-(2-ethyl-5-methylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 139314198
N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 55090669
N-methyl-1-[1-(tetrazolo[1,5-a]pyrazin-5-yl)pyrrolidin-2-yl]methanamine
CID 55090864
5-[2-(3-Chloropropyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine
CID 55185304
5-(3-Chloro-8-azabicyclo[3.2.1]octan-8-yl)tetrazolo[1,5-a]pyrazine
CID 55235850
N-[(1-ethylpyrrolidin-2-yl)methyl]tetrazolo[1,5-a]pyrazin-5-amine
CID 60981442
1-(Tetrazolo[1,5-a]pyrazin-5-yl)pyrrolidin-3-amine
CID 62067147
N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine
CID 62541127

Frequently Asked Questions

What is the IUPAC name of 5-[2-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine?
The IUPAC name of 5-[2-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine (CID 63389789) is 5-[2-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-[2-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-[2-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine is ClCC1CCCN1c1cncc2nnnn12.
What is the InChIKey of 5-[2-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine?
The InChIKey is CAPZDCJAJVIQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN6/c10-4-7-2-1-3-15(7)9-6-11-5-8-12-13-14-16(8)9/h5-7H,1-4H2.
What are the key properties of 5-[2-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine?
5-[2-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine has a molecular weight of 238.68 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 63389789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).