6,7-dihydro-5H-cyclopenta[b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-b]pyridazine;pyrazolo[1,5-a]pyrimidine;pyrazolo[5,1-c][1,2,4]triazine;[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-b]pyridazine

C42H37N21 — CID 161139951

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-b]pyridazine;pyrazolo[1,5-a]pyrimidine;pyrazolo[5,1-c][1,2,4]triazine;[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-b]pyridazine
SMILESc1ccn2ccnc2c1.c1cn2nccc2nn1.c1cnc2c(c1)CCC2.c1cnc2ccnn2c1.c1cnc2ncnn2c1.c1cnn2ccnc2c1.c1cnn2ncnc2c1
InChIInChI=1S/C8H9N.C7H6N2.2C6H5N3.3C5H4N4/c1-3-7-4-2-6-9-8(7)5-1;1-2-5-9-6-4-8-7(9)3-1;1-3-7-6-2-4-8-9(6)5-1;1-2-6-7-4-5-9(6)8-3-1;1-2-7-9-4-3-6-8-5(1)9;1-2-6-5-7-4-8-9(5)3-1;1-2-5-6-4-8-9(5)7-3-1/h2,4,6H,1,3,5H2;1-6H;2*1-5H;3*1-4H
InChIKeyUNHOSFKKGSSLLX-UHFFFAOYSA-N
MW835.91 g/mol
LogP4.74
Rot. Bonds

About 6,7-dihydro-5H-cyclopenta[b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-b]pyridazine;pyrazolo[1,5-a]pyrimidine;pyrazolo[5,1-c][1,2,4]triazine;[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-b]pyridazine

6,7-dihydro-5H-cyclopenta[b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-b]pyridazine;pyrazolo[1,5-a]pyrimidine;pyrazolo[5,1-c][1,2,4]triazine;[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-b]pyridazine (PubChem CID 161139951) has the molecular formula C42H37N21 and a molecular weight of 835.91 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-b]pyridazine;pyrazolo[1,5-a]pyrimidine;pyrazolo[5,1-c][1,2,4]triazine;[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-b]pyridazine;pyrazolo[1,5-a]pyrimidine;pyrazolo[5,1-c][1,2,4]triazine;[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-b]pyridazine
PubChem CID161139951
Molecular FormulaC42H37N21
Molecular Weight835.91 g/mol
Exact Mass835.35
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-b]pyridazine;pyrazolo[1,5-a]pyrimidine;pyrazolo[5,1-c][1,2,4]triazine;[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-b]pyridazine
SMILESc1ccn2ccnc2c1.c1cn2nccc2nn1.c1cnc2c(c1)CCC2.c1cnc2ccnn2c1.c1cnc2ncnn2c1.c1cnn2ccnc2c1.c1cnn2ncnc2c1
InChIInChI=1S/C8H9N.C7H6N2.2C6H5N3.3C5H4N4/c1-3-7-4-2-6-9-8(7)5-1;1-2-5-9-6-4-8-7(9)3-1;1-3-7-6-2-4-8-9(6)5-1;1-2-6-7-4-5-9(6)8-3-1;1-2-7-9-4-3-6-8-5(1)9;1-2-6-5-7-4-8-9(5)3-1;1-2-5-6-4-8-9(5)7-3-1/h2,4,6H,1,3,5H2;1-6H;2*1-5H;3*1-4H
InChIKeyUNHOSFKKGSSLLX-UHFFFAOYSA-N
XLogP4.74
TPSA219.81 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.91
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 6,7-dihydro-5H-cyclopenta[b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-b]pyridazine;pyrazolo[1,5-a]pyrimidine;pyrazolo[5,1-c][1,2,4]triazine;[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-b]pyridazine with MolForge

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Related Compounds

imidazo[1,2-a]pyrazine;imidazo[1,2-a][1,3,5]triazine;imidazo[1,2-b]pyridazine;imidazo[1,2-b][1,2,4]triazine;imidazo[1,2-c]pyrimidine;imidazo[1,2-c]triazine;imidazo[2,1-c][1,2,4]triazine;imidazo[1,2-d][1,2,4]triazine;imidazo[2,1-f][1,2,4]triazine;methane;tris(pyrazolo[1,5-a][1,3,5]triazine);bis(pyrazolo[1,5-b][1,2,4]triazine);bis(pyrazolo[1,5-c]triazine);tris(pyrazolo[5,1-c][1,2,4]triazine);bis(pyrazolo[1,5-d][1,2,4]triazine);bis(pyrazolo[5,1-f][1,2,4]triazine);pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b][1,2,4]triazine;pyrrolo[1,2-c]triazine;pyrrolo[1,2-d][1,2,4]triazine;pyrrolo[2,1-f][1,2,4]triazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a][1,3,5]triazine;[1,2,4]triazolo[1,5-b][1,2,4]triazine;[1,2,4]triazolo[1,5-c]triazine;[1,2,4]triazolo[5,1-c][1,2,4]triazine;[1,2,4]triazolo[1,5-d][1,2,4]triazine;[1,2,4]triazolo[5,1-f][1,2,4]triazine
CID 160650713
imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;bis(pyrazolo[1,5-a][1,3,5]triazine);bis(pyrazolo[1,5-b][1,2,4]triazine);pyrazolo[1,5-c]triazine;pyrazolo[5,1-c][1,2,4]triazine;bis(pyrazolo[1,5-d][1,2,4]triazine);pyrazolo[5,1-f][1,2,4]triazine;[1,2,4]triazolo[1,5-c]triazine;[1,2,4]triazolo[5,1-f][1,2,4]triazine
CID 159253354
carbanide;ethane;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;bis(yttrium)
CID 159110066
imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-a][1,3,5]triazine;imidazo[1,2-b]pyridazine;imidazo[1,2-b][1,2,4]triazine;imidazo[1,2-c]pyrimidine;imidazo[1,2-c]triazine;imidazo[2,1-c][1,2,4]triazine;imidazo[1,2-d][1,2,4]triazine;imidazo[2,1-f][1,2,4]triazine;pyrrolo[1,2-c]triazine;pyrrolo[2,1-f][1,2,4]triazine
CID 160939450
azane;phosphane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 175101128
12-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene
CID 175984451
acridine;ethane;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]quinoline;imidazo[1,2-a][1,3,5]triazine;imidazo[1,2-b]isoquinoline;imidazo[1,2-b]pyridazine;imidazo[1,2-b][1,2,4]triazine;imidazo[1,2-c]pyrimidine;imidazo[2,1-c][1,2,4]triazine;imidazo[2,1-f][1,2,4]triazine
CID 161122039
icosakis(2,2-dimethylpropane);imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;indolizine;methane;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;bis(pyrrolo[1,2-a]pyrazine);bis(pyrrolo[1,2-a]pyrimidine);bis(pyrrolo[1,2-b]pyridazine);bis(pyrrolo[1,2-c]pyrimidine)
CID 158842149
2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;bis(2,3-dihydro-1H-indene);ethane;imidazo[1,2-a]pyrazine;methane;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methylimidazo[4,5-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;pyrazolo[1,5-a]pyrimidine
CID 163709332
pyrazolo[1,5-a]pyrimidine;sulfuric acid
CID 172707658
2H-imidazo[4,5-b]pyridine;2H-imidazo[4,5-c]pyridine;bis(pyrazolo[1,5-a][1,3,5]triazine);bis(pyrazolo[1,5-b][1,2,4]triazine);bis(pyrazolo[1,5-c]triazine);bis(pyrazolo[5,1-c][1,2,4]triazine);bis(pyrazolo[1,5-d][1,2,4]triazine);bis(pyrazolo[5,1-f][1,2,4]triazine);pyrrolo[1,2-a][1,3,5]triazine;pyrrolo[2,1-c][1,2,4]triazine;[1,3]thiazolo[4,5-b]pyrazine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridazine;[1,3]thiazolo[5,4-c]pyridazine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;[1,3]thiazolo[4,5-d]pyridazine;[1,3]thiazolo[4,5-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-b]pyrazine;thieno[2,3-c]pyridazine;thieno[3,2-c]pyridazine;thieno[2,3-d]pyridazine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a][1,3,5]triazine;[1,2,4]triazolo[1,5-b][1,2,4]triazine;[1,2,4]triazolo[1,5-c]triazine;[1,2,4]triazolo[5,1-c][1,2,4]triazine;[1,2,4]triazolo[1,5-d][1,2,4]triazine;[1,2,4]triazolo[5,1-f][1,2,4]triazine
CID 162193295
2,19-diazatetracyclo[10.10.0.03,10.015,20]docosa-1(12),2,10,15(20),16,18-hexaene
CID 118642189

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-b]pyridazine;pyrazolo[1,5-a]pyrimidine;pyrazolo[5,1-c][1,2,4]triazine;[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-b]pyridazine?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-b]pyridazine;pyrazolo[1,5-a]pyrimidine;pyrazolo[5,1-c][1,2,4]triazine;[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-b]pyridazine (CID 161139951) is 6,7-dihydro-5H-cyclopenta[b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-b]pyridazine;pyrazolo[1,5-a]pyrimidine;pyrazolo[5,1-c][1,2,4]triazine;[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-b]pyridazine.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-b]pyridazine;pyrazolo[1,5-a]pyrimidine;pyrazolo[5,1-c][1,2,4]triazine;[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-b]pyridazine?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-b]pyridazine;pyrazolo[1,5-a]pyrimidine;pyrazolo[5,1-c][1,2,4]triazine;[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-b]pyridazine is c1ccn2ccnc2c1.c1cn2nccc2nn1.c1cnc2c(c1)CCC2.c1cnc2ccnn2c1.c1cnc2ncnn2c1.c1cnn2ccnc2c1.c1cnn2ncnc2c1.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-b]pyridazine;pyrazolo[1,5-a]pyrimidine;pyrazolo[5,1-c][1,2,4]triazine;[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-b]pyridazine?
The InChIKey is UNHOSFKKGSSLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.C7H6N2.2C6H5N3.3C5H4N4/c1-3-7-4-2-6-9-8(7)5-1;1-2-5-9-6-4-8-7(9)3-1;1-3-7-6-2-4-8-9(6)5-1;1-2-6-7-4-5-9(6)8-3-1;1-2-7-9-4-3-6-8-5(1)9;1-2-6-5-7-4-8-9(5)3-1;1-2-5-6-4-8-9(5)7-3-1/h2,4,6H,1,3,5H2;1-6H;2*1-5H;3*1-4H.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-b]pyridazine;pyrazolo[1,5-a]pyrimidine;pyrazolo[5,1-c][1,2,4]triazine;[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-b]pyridazine?
6,7-dihydro-5H-cyclopenta[b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-b]pyridazine;pyrazolo[1,5-a]pyrimidine;pyrazolo[5,1-c][1,2,4]triazine;[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-b]pyridazine has a molecular weight of 835.91 g/mol, XLogP of 4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-b]pyridazine;pyrazolo[1,5-a]pyrimidine;pyrazolo[5,1-c][1,2,4]triazine;[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-b]pyridazine is sourced from PubChem (CID 161139951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).