2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine;2,3-dihydro-1H-pyrrolizine;2H-imidazo[1,2-a]pyrazin-4-ium;2H-imidazo[1,2-a]pyridin-4-ium;2H-imidazo[1,5-a]pyridin-4-ium;3H-imidazo[4,5-c]pyridine;2H-imidazo[1,2-c]pyrimidin-4-ium;2H-indolizin-4-ium;2H-isoindole;7H-purine;2H-pyrazolo[1,5-a]pyridin-8-ium;6H-pyrrolo[1,2-b]pyridazin-8-ium;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium;2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium

C151H161N44O+9 — CID 157130930

About 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine;2,3-dihydro-1H-pyrrolizine;2H-imidazo[1,2-a]pyrazin-4-ium;2H-imidazo[1,2-a]pyridin-4-ium;2H-imidazo[1,5-a]pyridin-4-ium;3H-imidazo[4,5-c]pyridine;2H-imidazo[1,2-c]pyrimidin-4-ium;2H-indolizin-4-ium;2H-isoindole;7H-purine;2H-pyrazolo[1,5-a]pyridin-8-ium;6H-pyrrolo[1,2-b]pyridazin-8-ium;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium;2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium

2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine;2,3-dihydro-1H-pyrrolizine;2H-imidazo[1,2-a]pyrazin-4-ium;2H-imidazo[1,2-a]pyridin-4-ium;2H-imidazo[1,5-a]pyridin-4-ium;3H-imidazo[4,5-c]pyridine;2H-imidazo[1,2-c]pyrimidin-4-ium;2H-indolizin-4-ium;2H-isoindole;7H-purine;2H-pyrazolo[1,5-a]pyridin-8-ium;6H-pyrrolo[1,2-b]pyridazin-8-ium;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium;2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium (PubChem CID 157130930) has the molecular formula C151H161N44O+9 and a molecular weight of 2608.26 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine;2,3-dihydro-1H-pyrrolizine;2H-imidazo[1,2-a]pyrazin-4-ium;2H-imidazo[1,2-a]pyridin-4-ium;2H-imidazo[1,5-a]pyridin-4-ium;3H-imidazo[4,5-c]pyridine;2H-imidazo[1,2-c]pyrimidin-4-ium;2H-indolizin-4-ium;2H-isoindole;7H-purine;2H-pyrazolo[1,5-a]pyridin-8-ium;6H-pyrrolo[1,2-b]pyridazin-8-ium;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium;2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium.

Molecular Properties

• Compound Name: 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine;2,3-dihydro-1H-pyrrolizine;2H-imidazo[1,2-a]pyrazin-4-ium;2H-imidazo[1,2-a]pyridin-4-ium;2H-imidazo[1,5-a]pyridin-4-ium;3H-imidazo[4,5-c]pyridine;2H-imidazo[1,2-c]pyrimidin-4-ium;2H-indolizin-4-ium;2H-isoindole;7H-purine;2H-pyrazolo[1,5-a]pyridin-8-ium;6H-pyrrolo[1,2-b]pyridazin-8-ium;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium;2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium
• PubChem CID: 157130930
• Molecular Formula: C151H161N44O+9
• Molecular Weight: 2608.26 g/mol
• Exact Mass: 2606.39
• IUPAC Name: 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine;2,3-dihydro-1H-pyrrolizine;2H-imidazo[1,2-a]pyrazin-4-ium;2H-imidazo[1,2-a]pyridin-4-ium;2H-imidazo[1,5-a]pyridin-4-ium;3H-imidazo[4,5-c]pyridine;2H-imidazo[1,2-c]pyrimidin-4-ium;2H-indolizin-4-ium;2H-isoindole;7H-purine;2H-pyrazolo[1,5-a]pyridin-8-ium;6H-pyrrolo[1,2-b]pyridazin-8-ium;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium;2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium
• SMILES: C1=[n+]2ccccc2=NC1.C1=[n+]2ccncc2=NC1.C1=[n+]2cnccc2=NC1.C1=c2cccc[n+]2=CC1.C1=c2cccc[n+]2=NC1.C1=c2cccn[n+]2=CC1.c1cc2c(cn1)CCCN2.c1cc2c(cn1)CNCC2.c1cc2c(cn1)NCCC2.c1cc2n(c1)CCC2.c1cc2nc[nH]c2cn1.c1cc[n+]2c(c1)=NCN=2.c1cc[n+]2c[nH]cc2c1.c1cc[n+]2cn[nH]c2c1.c1ccc2c(c1)CCNC2.c1ccc2c[nH]cc2c1.c1ccc2ncccc2c1.c1cnc2c(c1)CNCC2.c1cnc2c(c1)NCCC2.c1cnc2c(c1)NCCO2.c1ncc2[nH]cnc2n1
• InChI: InChI=1S/C9H7N.C9H11N.5C8H10N2.C8H8N.C8H7N.C7H8N2O.3C7H7N2.C7H6N2.C7H9N.C6H6N3.C6H5N3.C6H6N3.C6H5N3.C6H6N3.C5H4N4/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-3-9-5-8-6-10-4-2-7(1)8;1-3-7-8(9-5-1)4-2-6-10-7;2*1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;1-2-6-7(9-3-1)10-5-4-8-6;1-3-7-4-2-6-9(7)8-5-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;1-3-7-4-2-6-8(7)5-1;1-3-9-4-2-8-6(9)5-7-1;1-2-7-3-6-5(1)8-4-9-6;1-2-7-5-9-4-3-8-6(1)9;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;1-4-5(8-2-6-1)9-3-7-4/h1-7H;1-4,10H,5-7H2;2*1,3,5,10H,2,4,6H2;3,5-6,10H,1-2,4H2;1-2,4,9H,3,5-6H2;3,5-6,10H,1-2,4H2;1-2,4-7H,3H2;1-6,9H;1-3,8H,4-5H2;1,3-6H,2H2;1-4,6H,5H2;1-3,5-6H,4H2;1-6H;1,3,5H,2,4,6H2;1,3-5H,2H2;1-4H,(H,8,9);1-2,4-5H,3H2;1-5H;1-4H,5H2;1-3H,(H,6,7,8,9)/q;;;;;;;+1;;;3*+1;;;+1;;+1;;+1;/p+2
• InChIKey: JDVRONCODDILKR-UHFFFAOYSA-P
• XLogP: 12.81
• TPSA: 507.22 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2608.26
LogP ≤ 5	12.81
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine;2,3-dihydro-1H-pyrrolizine;2H-imidazo[1,2-a]pyrazin-4-ium;2H-imidazo[1,2-a]pyridin-4-ium;2H-imidazo[1,5-a]pyridin-4-ium;3H-imidazo[4,5-c]pyridine;2H-imidazo[1,2-c]pyrimidin-4-ium;2H-indolizin-4-ium;2H-isoindole;7H-purine;2H-pyrazolo[1,5-a]pyridin-8-ium;6H-pyrrolo[1,2-b]pyridazin-8-ium;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium;2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium?

The IUPAC name of 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine;2,3-dihydro-1H-pyrrolizine;2H-imidazo[1,2-a]pyrazin-4-ium;2H-imidazo[1,2-a]pyridin-4-ium;2H-imidazo[1,5-a]pyridin-4-ium;3H-imidazo[4,5-c]pyridine;2H-imidazo[1,2-c]pyrimidin-4-ium;2H-indolizin-4-ium;2H-isoindole;7H-purine;2H-pyrazolo[1,5-a]pyridin-8-ium;6H-pyrrolo[1,2-b]pyridazin-8-ium;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium;2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium (CID 157130930) is 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine;2,3-dihydro-1H-pyrrolizine;2H-imidazo[1,2-a]pyrazin-4-ium;2H-imidazo[1,2-a]pyridin-4-ium;2H-imidazo[1,5-a]pyridin-4-ium;3H-imidazo[4,5-c]pyridine;2H-imidazo[1,2-c]pyrimidin-4-ium;2H-indolizin-4-ium;2H-isoindole;7H-purine;2H-pyrazolo[1,5-a]pyridin-8-ium;6H-pyrrolo[1,2-b]pyridazin-8-ium;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium;2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium.

What is the SMILES notation for 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine;2,3-dihydro-1H-pyrrolizine;2H-imidazo[1,2-a]pyrazin-4-ium;2H-imidazo[1,2-a]pyridin-4-ium;2H-imidazo[1,5-a]pyridin-4-ium;3H-imidazo[4,5-c]pyridine;2H-imidazo[1,2-c]pyrimidin-4-ium;2H-indolizin-4-ium;2H-isoindole;7H-purine;2H-pyrazolo[1,5-a]pyridin-8-ium;6H-pyrrolo[1,2-b]pyridazin-8-ium;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium;2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium?

The canonical SMILES for 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine;2,3-dihydro-1H-pyrrolizine;2H-imidazo[1,2-a]pyrazin-4-ium;2H-imidazo[1,2-a]pyridin-4-ium;2H-imidazo[1,5-a]pyridin-4-ium;3H-imidazo[4,5-c]pyridine;2H-imidazo[1,2-c]pyrimidin-4-ium;2H-indolizin-4-ium;2H-isoindole;7H-purine;2H-pyrazolo[1,5-a]pyridin-8-ium;6H-pyrrolo[1,2-b]pyridazin-8-ium;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium;2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium is C1=[n+]2ccccc2=NC1.C1=[n+]2ccncc2=NC1.C1=[n+]2cnccc2=NC1.C1=c2cccc[n+]2=CC1.C1=c2cccc[n+]2=NC1.C1=c2cccn[n+]2=CC1.c1cc2c(cn1)CCCN2.c1cc2c(cn1)CNCC2.c1cc2c(cn1)NCCC2.c1cc2n(c1)CCC2.c1cc2nc[nH]c2cn1.c1cc[n+]2c(c1)=NCN=2.c1cc[n+]2c[nH]cc2c1.c1cc[n+]2cn[nH]c2c1.c1ccc2c(c1)CCNC2.c1ccc2c[nH]cc2c1.c1ccc2ncccc2c1.c1cnc2c(c1)CNCC2.c1cnc2c(c1)NCCC2.c1cnc2c(c1)NCCO2.c1ncc2[nH]cnc2n1.

What is the InChIKey of 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine;2,3-dihydro-1H-pyrrolizine;2H-imidazo[1,2-a]pyrazin-4-ium;2H-imidazo[1,2-a]pyridin-4-ium;2H-imidazo[1,5-a]pyridin-4-ium;3H-imidazo[4,5-c]pyridine;2H-imidazo[1,2-c]pyrimidin-4-ium;2H-indolizin-4-ium;2H-isoindole;7H-purine;2H-pyrazolo[1,5-a]pyridin-8-ium;6H-pyrrolo[1,2-b]pyridazin-8-ium;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium;2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium?

The InChIKey is JDVRONCODDILKR-UHFFFAOYSA-P. The full InChI is InChI=1S/C9H7N.C9H11N.5C8H10N2.C8H8N.C8H7N.C7H8N2O.3C7H7N2.C7H6N2.C7H9N.C6H6N3.C6H5N3.C6H6N3.C6H5N3.C6H6N3.C5H4N4/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-3-9-5-8-6-10-4-2-7(1)8;1-3-7-8(9-5-1)4-2-6-10-7;2*1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;1-2-6-7(9-3-1)10-5-4-8-6;1-3-7-4-2-6-9(7)8-5-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;1-3-7-4-2-6-8(7)5-1;1-3-9-4-2-8-6(9)5-7-1;1-2-7-3-6-5(1)8-4-9-6;1-2-7-5-9-4-3-8-6(1)9;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;1-4-5(8-2-6-1)9-3-7-4/h1-7H;1-4,10H,5-7H2;2*1,3,5,10H,2,4,6H2;3,5-6,10H,1-2,4H2;1-2,4,9H,3,5-6H2;3,5-6,10H,1-2,4H2;1-2,4-7H,3H2;1-6,9H;1-3,8H,4-5H2;1,3-6H,2H2;1-4,6H,5H2;1-3,5-6H,4H2;1-6H;1,3,5H,2,4,6H2;1,3-5H,2H2;1-4H,(H,8,9);1-2,4-5H,3H2;1-5H;1-4H,5H2;1-3H,(H,6,7,8,9)/q;;;;;;;+1;;;3*+1;;;+1;;+1;;+1;/p+2.

What are the key properties of 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine;2,3-dihydro-1H-pyrrolizine;2H-imidazo[1,2-a]pyrazin-4-ium;2H-imidazo[1,2-a]pyridin-4-ium;2H-imidazo[1,5-a]pyridin-4-ium;3H-imidazo[4,5-c]pyridine;2H-imidazo[1,2-c]pyrimidin-4-ium;2H-indolizin-4-ium;2H-isoindole;7H-purine;2H-pyrazolo[1,5-a]pyridin-8-ium;6H-pyrrolo[1,2-b]pyridazin-8-ium;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium;2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium?

2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine;2,3-dihydro-1H-pyrrolizine;2H-imidazo[1,2-a]pyrazin-4-ium;2H-imidazo[1,2-a]pyridin-4-ium;2H-imidazo[1,5-a]pyridin-4-ium;3H-imidazo[4,5-c]pyridine;2H-imidazo[1,2-c]pyrimidin-4-ium;2H-indolizin-4-ium;2H-isoindole;7H-purine;2H-pyrazolo[1,5-a]pyridin-8-ium;6H-pyrrolo[1,2-b]pyridazin-8-ium;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium;2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium has a molecular weight of 2608.26 g/mol, XLogP of 12.81, 0 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine;2,3-dihydro-1H-pyrrolizine;2H-imidazo[1,2-a]pyrazin-4-ium;2H-imidazo[1,2-a]pyridin-4-ium;2H-imidazo[1,5-a]pyridin-4-ium;3H-imidazo[4,5-c]pyridine;2H-imidazo[1,2-c]pyrimidin-4-ium;2H-indolizin-4-ium;2H-isoindole;7H-purine;2H-pyrazolo[1,5-a]pyridin-8-ium;6H-pyrrolo[1,2-b]pyridazin-8-ium;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium;2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium is sourced from PubChem (CID 157130930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).