2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine;tri(pyrazol-1-yl)boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide

C150H161B2N61O4S3-2 — CID 159940002

IUPAC2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine;tri(pyrazol-1-yl)boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide
SMILESC1=CN=C(CN(CC2=NC=CC2)CC2=NC=CC2)C1.Cc1cc(C)n([BH-](n2nc(C)cc2C)n2nc(C)cc2C)n1.Cc1cccc(Oc2cccc(C)n2)n1.c1cc(CN(Cc2ccncn2)Cc2ccncn2)ncn1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1cnc(CN(Cc2cnccn2)Cc2cnccn2)cn1.c1cnc(CN(Cc2ncccn2)Cc2ncccn2)nc1.c1cnn([BH-](n2cccn2)n2cccn2)c1.c1coc(CN(Cc2ncco2)Cc2ncco2)n1.c1csc(CN(Cc2nccs2)Cc2nccs2)n1.c1ncnc(CN(Cc2ncncn2)Cc2ncncn2)n1
InChIInChI=1S/C18H18N4.C15H22BN6.3C15H15N7.C15H18N4.C12H12N10.C12H12N4O3.C12H12N4S3.C12H12N2O.C9H10BN6/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;1-4-19-13(7-16-1)10-22(11-14-8-17-2-5-20-14)12-15-9-18-3-6-21-15;1-4-16-10-19-13(1)7-22(8-14-2-5-17-11-20-14)9-15-3-6-18-12-21-15;1-4-16-13(17-5-1)10-22(11-14-18-6-2-7-19-14)12-15-20-8-3-9-21-15;1-4-13(16-7-1)10-19(11-14-5-2-8-17-14)12-15-6-3-9-18-15;1(10-16-4-13-5-17-10)22(2-11-18-6-14-7-19-11)3-12-20-8-15-9-21-12;2*1-4-17-10(13-1)7-16(8-11-14-2-5-18-11)9-12-15-3-6-19-12;1-9-5-3-7-11(13-9)15-12-8-4-6-10(2)14-12;1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16/h1-12H,13-15H2;7-9,16H,1-6H3;1-9H,10-12H2;1-6,10-12H,7-9H2;1-9H,10-12H2;1-3,7-9H,4-6,10-12H2;4-9H,1-3H2;2*1-6H,7-9H2;3-8H,1-2H3;1-10H/q;-1;;;;;;;;;-1
InChIKeyOATHWQPNLVHTKF-UHFFFAOYSA-N
MW3000.19 g/mol
LogP18.38
Rot. Bonds56

About 2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine;tri(pyrazol-1-yl)boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide

2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine;tri(pyrazol-1-yl)boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide (PubChem CID 159940002) has the molecular formula C150H161B2N61O4S3-2 and a molecular weight of 3000.19 g/mol. Its IUPAC name is 2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine;tri(pyrazol-1-yl)boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide.

Molecular Properties

Compound Name2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine;tri(pyrazol-1-yl)boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide
PubChem CID159940002
Molecular FormulaC150H161B2N61O4S3-2
Molecular Weight3000.19 g/mol
Exact Mass2998.36
IUPAC Name2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine;tri(pyrazol-1-yl)boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide
SMILESC1=CN=C(CN(CC2=NC=CC2)CC2=NC=CC2)C1.Cc1cc(C)n([BH-](n2nc(C)cc2C)n2nc(C)cc2C)n1.Cc1cccc(Oc2cccc(C)n2)n1.c1cc(CN(Cc2ccncn2)Cc2ccncn2)ncn1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1cnc(CN(Cc2cnccn2)Cc2cnccn2)cn1.c1cnc(CN(Cc2ncccn2)Cc2ncccn2)nc1.c1cnn([BH-](n2cccn2)n2cccn2)c1.c1coc(CN(Cc2ncco2)Cc2ncco2)n1.c1csc(CN(Cc2nccs2)Cc2nccs2)n1.c1ncnc(CN(Cc2ncncn2)Cc2ncncn2)n1
InChIInChI=1S/C18H18N4.C15H22BN6.3C15H15N7.C15H18N4.C12H12N10.C12H12N4O3.C12H12N4S3.C12H12N2O.C9H10BN6/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;1-4-19-13(7-16-1)10-22(11-14-8-17-2-5-20-14)12-15-9-18-3-6-21-15;1-4-16-10-19-13(1)7-22(8-14-2-5-17-11-20-14)9-15-3-6-18-12-21-15;1-4-16-13(17-5-1)10-22(11-14-18-6-2-7-19-14)12-15-20-8-3-9-21-15;1-4-13(16-7-1)10-19(11-14-5-2-8-17-14)12-15-6-3-9-18-15;1(10-16-4-13-5-17-10)22(2-11-18-6-14-7-19-11)3-12-20-8-15-9-21-12;2*1-4-17-10(13-1)7-16(8-11-14-2-5-18-11)9-12-15-3-6-19-12;1-9-5-3-7-11(13-9)15-12-8-4-6-10(2)14-12;1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16/h1-12H,13-15H2;7-9,16H,1-6H3;1-9H,10-12H2;1-6,10-12H,7-9H2;1-9H,10-12H2;1-3,7-9H,4-6,10-12H2;4-9H,1-3H2;2*1-6H,7-9H2;3-8H,1-2H3;1-10H/q;-1;;;;;;;;;-1
InChIKeyOATHWQPNLVHTKF-UHFFFAOYSA-N
XLogP18.38
TPSA708.39 Ų
H-Bond Donors
H-Bond Acceptors68
Rotatable Bonds56
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003000.19
LogP ≤ 518.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1068

Computed Properties (RDKit)

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

Analyze 2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine;tri(pyrazol-1-yl)boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide with MolForge

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Launch Full Analysis

Related Compounds

2,5-Dimethylfuran;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
CID 157063733
Ethane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
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N,N-dimethyl-2-(6-pyridin-2-ylpyridazin-3-yl)oxyacetamide;3-[(1-methylimidazol-2-yl)methoxy]-6-pyridin-2-ylpyridazine;3-[(3-methylimidazol-4-yl)methoxy]-6-pyridin-2-ylpyridazine;1-piperidin-1-yl-2-(6-pyridin-2-ylpyridazin-3-yl)oxyethanone;2-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]-1,3-thiazole;3-pyridin-2-yl-6-(1-pyridin-2-ylethoxy)pyridazine
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Bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;2-methylfuran;tetrakis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1-methyltriazole;1,3-oxazole;tris(pyridine);1,2,3-trimethylpyrrole
CID 157201879
2,5-Di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1,3-oxazole);2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);3,6-di(propan-2-yl)pyridazine;bis(2,4-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyridine);2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);bis(2,5-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene
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1,2-dimethylimidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2-methylfuran;3-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;4-methyl-2H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
CID 157283462
tert-butylbenzene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-3H-pyrrole;4-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;methane
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1,2-dimethylimidazole;1,2-dimethylpyrrole;methane;tris(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;bis(2-methyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene
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1-Tert-butylimidazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;bis(2-tert-butyl-1,3-thiazole);2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;2-tert-butyltriazole;nonakis(2,2-dimethylpropane);furan;methane;2-methylfuran;1-methylimidazole;1-methylpyrrole;pyrazine;tris(pyridine);thiophene
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cumene;6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methyl-5-propan-2-ylpyridine;3-propan-2-yl-1-benzothiophene;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
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CID 157796294
CID 157796294
2-methylfuran;2-methyl-1,3-oxazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methyl-2H-pyrrole);tris(2-methyl-1,3-thiazole);4-methyl-1,3-thiazole;bis(5-methyl-1,3-thiazole)
CID 157868986

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine;tri(pyrazol-1-yl)boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide?
The IUPAC name of 2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine;tri(pyrazol-1-yl)boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide (CID 159940002) is 2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine;tri(pyrazol-1-yl)boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide.
What is the SMILES notation for 2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine;tri(pyrazol-1-yl)boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide?
The canonical SMILES for 2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine;tri(pyrazol-1-yl)boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide is C1=CN=C(CN(CC2=NC=CC2)CC2=NC=CC2)C1.Cc1cc(C)n([BH-](n2nc(C)cc2C)n2nc(C)cc2C)n1.Cc1cccc(Oc2cccc(C)n2)n1.c1cc(CN(Cc2ccncn2)Cc2ccncn2)ncn1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1cnc(CN(Cc2cnccn2)Cc2cnccn2)cn1.c1cnc(CN(Cc2ncccn2)Cc2ncccn2)nc1.c1cnn([BH-](n2cccn2)n2cccn2)c1.c1coc(CN(Cc2ncco2)Cc2ncco2)n1.c1csc(CN(Cc2nccs2)Cc2nccs2)n1.c1ncnc(CN(Cc2ncncn2)Cc2ncncn2)n1.
What is the InChIKey of 2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine;tri(pyrazol-1-yl)boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide?
The InChIKey is OATHWQPNLVHTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4.C15H22BN6.3C15H15N7.C15H18N4.C12H12N10.C12H12N4O3.C12H12N4S3.C12H12N2O.C9H10BN6/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;1-4-19-13(7-16-1)10-22(11-14-8-17-2-5-20-14)12-15-9-18-3-6-21-15;1-4-16-10-19-13(1)7-22(8-14-2-5-17-11-20-14)9-15-3-6-18-12-21-15;1-4-16-13(17-5-1)10-22(11-14-18-6-2-7-19-14)12-15-20-8-3-9-21-15;1-4-13(16-7-1)10-19(11-14-5-2-8-17-14)12-15-6-3-9-18-15;1(10-16-4-13-5-17-10)22(2-11-18-6-14-7-19-11)3-12-20-8-15-9-21-12;2*1-4-17-10(13-1)7-16(8-11-14-2-5-18-11)9-12-15-3-6-19-12;1-9-5-3-7-11(13-9)15-12-8-4-6-10(2)14-12;1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16/h1-12H,13-15H2;7-9,16H,1-6H3;1-9H,10-12H2;1-6,10-12H,7-9H2;1-9H,10-12H2;1-3,7-9H,4-6,10-12H2;4-9H,1-3H2;2*1-6H,7-9H2;3-8H,1-2H3;1-10H/q;-1;;;;;;;;;-1.
What are the key properties of 2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine;tri(pyrazol-1-yl)boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide?
2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine;tri(pyrazol-1-yl)boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide has a molecular weight of 3000.19 g/mol, XLogP of 18.38, 56 rotatable bonds, 0 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine;tri(pyrazol-1-yl)boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide is sourced from PubChem (CID 159940002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).