Structural Complex
Chemical ID: A1I2S
IUPAC Name: imidazo[1,2-a]pyridin-2-ylmethanamine
Formal Charge: 0
Type: non-polymer
Substructure
Substruture Type: MurckoScaffold
SMILES: c1ccn2ccnc2c1
InChI: InChI=1S/C7H6N2/c1-2-5-9-6-4-8-7(9)3-1/h1-6H
InChI Key: UTCSSFWDNNEEBH-UHFFFAOYSA-N
Physiochemical Descriptor:
Formula: C8 H9 N3
Molecular weight: 147.177
Hydrogen Bond Acceptor: 3
Hydrogen Bond Donor: 1
Rotatable Bonds: 2
Heavy Atoms: 11
Systematic name
Program Version Descriptor
OpenEye OEToolkits 2.0.7 imidazo[1,2-a]pyridin-2-ylmethanamine
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.06 InChI=1S/C8H9N3/c9-5-7-6-11-4-2-1-3-8(11)10-7/h1-4,6H,5,9H2
InChIKey InChI 1.06 GBRIYMLJYQLICB-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 NCc1cn2ccccc2n1
SMILES CACTVS 3.385 NCc1cn2ccccc2n1
SMILES_CANONICAL OpenEye OEToolkits 2.0.7 c1ccn2cc(nc2c1)CN
SMILES OpenEye OEToolkits 2.0.7 c1ccn2cc(nc2c1)CN
Chemical Database Mapping
Database Reference ID
PubChem 2771121
ZINC ZINC000002456080
SureChEMBL SCHEMBL758876
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