Nitric acid--2H-tetrazol-5-amine (1/1)

CAS Number: 43146-62-9
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Nc1n[nH]nn1.[O-][N+](O)=O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HNO3.CH3N5
Molecular Weight
85.0698
Drug-likeness
-3.7813
CAS
43146-62-9
InChI key
TVIRJXQLFRFUCD-UHFFFAOYSA-N
SMILES
Nc1n[nH]nn1.[O-][N+](O)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 43146-62-9
Molecule Name Nitric acid--2H-tetrazol-5-amine (1/1)
Molecular Formula HNO3.CH3N5
SMILES Nc1n[nH]nn1.[O-][N+](O)=O
InChI InChI=1S/CH3N5.HNO3/c2-1-3-5-6-4-1;2-1(3)4/h(H3,2,3,4,5,6);(H,2,3,4)
InChI Key TVIRJXQLFRFUCD-UHFFFAOYSA-N
CanonicalSyTyLFy d9b820798c60beb7
TotalMolweight 148.082
Molecular Weight 85.0698
MonoisotopicMass 85.038845
CLogP -1.0248
CLogS -1.1
H Acceptors 5
H Donors 2
TotalSurfaceArea 67.63
Relative PSA 0.91927
PolarSurfaceArea 80.48
Drug-likeness -3.7813
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.66667
Molecular Complexity 0.69315
Fragments 2
Non HAtoms 6
NonCHAtoms 5
Electronegative Atoms 5
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 5
Aromatic Nitrogens 4

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