2-Chloro-6-(pyrrolidin-1-yl)pyrazine

CAS Number: 1000339-30-9
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Clc1nc(N2CCCC2)cnc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C8H10N3Cl
Molecular Weight
183.641
Drug-likeness
2.1
CAS
1000339-30-9
InChI key
JWMYNAAPKTUCSM-UHFFFAOYSA-N
SMILES
Clc1nc(N2CCCC2)cnc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1000339-30-9
Molecule Name 2-Chloro-6-(pyrrolidin-1-yl)pyrazine
Molecular Formula C8H10N3Cl
SMILES Clc1nc(N2CCCC2)cnc1
InChI InChI=1S/C8H10ClN3/c9-7-5-10-6-8(11-7)12-3-1-2-4-12/h5-6H,1-4H2
InChI Key JWMYNAAPKTUCSM-UHFFFAOYSA-N
CanonicalSyTyLFy 8aa94ce780bb3850
TotalMolweight 183.641
Molecular Weight 183.641
MonoisotopicMass 183.056324
CLogP 1.2036
CLogS -1.772
H Acceptors 3
TotalSurfaceArea 138.04
Relative PSA 0.18466
PolarSurfaceArea 29.02
Drug-likeness 2.1
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.58333
Molecula Flexibility 0.40407
Molecular Complexity 0.64169
Fragments 1
Non HAtoms 12
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 1
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 4
Symmetricatoms 2
Aromatic Nitrogens 2

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