Pyrazine-2,6-diamine--hydrogen chloride (1/1)

CAS Number: 1370411-48-5
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Nc1cncc(N)n1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C4H6N4
Molecular Weight
110.12
Drug-likeness
-1.9084
CAS
1370411-48-5
InChI key
YMMNCVMWOKVYDG-UHFFFAOYSA-N
SMILES
Nc1cncc(N)n1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1370411-48-5
Molecule Name Pyrazine-2,6-diamine--hydrogen chloride (1/1)
Molecular Formula HCl.C4H6N4
SMILES Nc1cncc(N)n1.Cl
InChI InChI=1S/C4H6N4.ClH/c5-3-1-7-2-4(6)8-3;/h1-2H,(H4,5,6,8);1H
InChI Key YMMNCVMWOKVYDG-UHFFFAOYSA-N
CanonicalSyTyLFy d281d9ae36e2b8ab
TotalMolweight 146.581
Molecular Weight 110.12
MonoisotopicMass 110.059246
CLogP -0.994
CLogS -1.228
H Acceptors 4
H Donors 2
TotalSurfaceArea 87.82
Relative PSA 0.59759
PolarSurfaceArea 77.82
Drug-likeness -1.9084
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.625
Molecular Complexity 0.59947
Fragments 2
Non HAtoms 8
NonCHAtoms 4
Electronegative Atoms 4
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Symmetricatoms 3
Aromatic Nitrogens 2
BasicNitrogens 1

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