1H-Pyrrolo[3,2-c]pyridin-6-amine

CAS Number: 1000342-74-4
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Nc1ncc(cc[nH]2)c2c1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C7H7N3
Molecular Weight
133.154
Drug-likeness
-0.73428
CAS
1000342-74-4
InChI key
IEKFXCSXZRHCIG-UHFFFAOYSA-N
SMILES
Nc1ncc(cc[nH]2)c2c1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1000342-74-4
Molecule Name 1H-Pyrrolo[3,2-c]pyridin-6-amine
Molecular Formula C7H7N3
SMILES Nc1ncc(cc[nH]2)c2c1
InChI InChI=1S/C7H7N3/c8-7-3-6-5(4-10-7)1-2-9-6/h1-4,9H,(H2,8,10)
InChI Key IEKFXCSXZRHCIG-UHFFFAOYSA-N
CanonicalSyTyLFy b4bf13aae2459b93
TotalMolweight 133.154
Molecular Weight 133.154
MonoisotopicMass 133.063997
CLogP 0.3722
CLogS -1.947
H Acceptors 3
H Donors 2
TotalSurfaceArea 104.71
Relative PSA 0.3842
PolarSurfaceArea 54.7
Drug-likeness -0.73428
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.6
Molecular Complexity 0.77003
Fragments 1
Non HAtoms 10
NonCHAtoms 3
Electronegative Atoms 3
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 9
Aromatic Nitrogens 2
BasicNitrogens 1

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