2-chloro-5-(pyrrolidin-1-ylmethyl)pyrazine

C9H12ClN3 — CID 103053997

IUPAC2-chloro-5-(pyrrolidin-1-ylmethyl)pyrazine
SMILESClc1cnc(CN2CCCC2)cn1
InChIInChI=1S/C9H12ClN3/c10-9-6-11-8(5-12-9)7-13-3-1-2-4-13/h5-6H,1-4,7H2
InChIKeyZXXKQYAGTTZLSK-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.73
Rot. Bonds2

About 2-chloro-5-(pyrrolidin-1-ylmethyl)pyrazine

2-chloro-5-(pyrrolidin-1-ylmethyl)pyrazine (PubChem CID 103053997) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 2-chloro-5-(pyrrolidin-1-ylmethyl)pyrazine.

Molecular Properties

Compound Name2-chloro-5-(pyrrolidin-1-ylmethyl)pyrazine
PubChem CID103053997
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name2-chloro-5-(pyrrolidin-1-ylmethyl)pyrazine
SMILESClc1cnc(CN2CCCC2)cn1
InChIInChI=1S/C9H12ClN3/c10-9-6-11-8(5-12-9)7-13-3-1-2-4-13/h5-6H,1-4,7H2
InChIKeyZXXKQYAGTTZLSK-UHFFFAOYSA-N
XLogP1.73
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(pyrrolidin-1-ylmethyl)pyrazine?
The IUPAC name of 2-chloro-5-(pyrrolidin-1-ylmethyl)pyrazine (CID 103053997) is 2-chloro-5-(pyrrolidin-1-ylmethyl)pyrazine.
What is the SMILES notation for 2-chloro-5-(pyrrolidin-1-ylmethyl)pyrazine?
The canonical SMILES for 2-chloro-5-(pyrrolidin-1-ylmethyl)pyrazine is Clc1cnc(CN2CCCC2)cn1.
What is the InChIKey of 2-chloro-5-(pyrrolidin-1-ylmethyl)pyrazine?
The InChIKey is ZXXKQYAGTTZLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c10-9-6-11-8(5-12-9)7-13-3-1-2-4-13/h5-6H,1-4,7H2.
What are the key properties of 2-chloro-5-(pyrrolidin-1-ylmethyl)pyrazine?
2-chloro-5-(pyrrolidin-1-ylmethyl)pyrazine has a molecular weight of 197.67 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(pyrrolidin-1-ylmethyl)pyrazine is sourced from PubChem (CID 103053997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).