2-chloro-3-methyl-5-pyrrolidin-3-ylpyrazine

C9H12ClN3 — CID 83831453

IUPAC2-chloro-3-methyl-5-pyrrolidin-3-ylpyrazine
SMILESCc1nc(C2CCNC2)cnc1Cl
InChIInChI=1S/C9H12ClN3/c1-6-9(10)12-5-8(13-6)7-2-3-11-4-7/h5,7,11H,2-4H2,1H3
InChIKeyYDJNTMHWLJCJQF-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.52
Rot. Bonds1

About 2-chloro-3-methyl-5-pyrrolidin-3-ylpyrazine

2-chloro-3-methyl-5-pyrrolidin-3-ylpyrazine (PubChem CID 83831453) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 2-chloro-3-methyl-5-pyrrolidin-3-ylpyrazine.

Molecular Properties

Compound Name2-chloro-3-methyl-5-pyrrolidin-3-ylpyrazine
PubChem CID83831453
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name2-chloro-3-methyl-5-pyrrolidin-3-ylpyrazine
SMILESCc1nc(C2CCNC2)cnc1Cl
InChIInChI=1S/C9H12ClN3/c1-6-9(10)12-5-8(13-6)7-2-3-11-4-7/h5,7,11H,2-4H2,1H3
InChIKeyYDJNTMHWLJCJQF-UHFFFAOYSA-N
XLogP1.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-3-methyl-5-piperidin-3-ylpyrazine
CID 83833851
2-methyl-5-piperidin-3-ylpyrazine
CID 82599606
5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 84656984
2-chloro-3,5-dimethylpyrazine
CID 11672680
4-pyrrolidin-3-yl-2H-triazole
CID 54238328
3-pyrrolidin-3-ylisoquinoline
CID 84774980
2-fluoro-4-methyl-6-pyrrolidin-3-ylpyridine
CID 138636032
ethane;4-methyl-2-pyrrolidin-3-ylpyridine
CID 143900241
2-pyrrolidin-3-ylpyrazine;hydrochloride
CID 71744154
2-fluoro-4-methyl-6-pyrrolidin-3-ylpyridine;hydrochloride
CID 138636031
N,N-dimethyl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 92615182
4-(5-methyl-1H-imidazol-2-yl)piperidine
CID 22096510

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-5-pyrrolidin-3-ylpyrazine?
The IUPAC name of 2-chloro-3-methyl-5-pyrrolidin-3-ylpyrazine (CID 83831453) is 2-chloro-3-methyl-5-pyrrolidin-3-ylpyrazine.
What is the SMILES notation for 2-chloro-3-methyl-5-pyrrolidin-3-ylpyrazine?
The canonical SMILES for 2-chloro-3-methyl-5-pyrrolidin-3-ylpyrazine is Cc1nc(C2CCNC2)cnc1Cl.
What is the InChIKey of 2-chloro-3-methyl-5-pyrrolidin-3-ylpyrazine?
The InChIKey is YDJNTMHWLJCJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-6-9(10)12-5-8(13-6)7-2-3-11-4-7/h5,7,11H,2-4H2,1H3.
What are the key properties of 2-chloro-3-methyl-5-pyrrolidin-3-ylpyrazine?
2-chloro-3-methyl-5-pyrrolidin-3-ylpyrazine has a molecular weight of 197.67 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-5-pyrrolidin-3-ylpyrazine is sourced from PubChem (CID 83831453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).