5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-methyl-1,3,4-oxadiazol-2-amine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-phenyl-1,3,4-oxadiazol-2-amine;methyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen

C67H73N19O6 — CID 161444498

IUPAC5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-methyl-1,3,4-oxadiazol-2-amine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-phenyl-1,3,4-oxadiazol-2-amine;methyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen
SMILESC=C(c1ccc(-c2cnc(C)c(-c3nnc(NC)o3)n2)cc1)N(C)C.C=C(c1ccc(-c2cnc(C)c(-c3nnc(Nc4ccccc4)o3)n2)cc1)N(C)C.COC(=O)N1CCCN(C(=O)c2ccc(-c3cnc(N)c(-c4nnc(-c5ccccc5)o4)n3)cc2)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C26H25N7O4.C23H22N6O.C18H20N6O.3H2/c1-36-26(35)33-13-5-12-32(14-15-33)25(34)19-10-8-17(9-11-19)20-16-28-22(27)21(29-20)24-31-30-23(37-24)18-6-3-2-4-7-18;1-15-21(22-27-28-23(30-22)25-19-8-6-5-7-9-19)26-20(14-24-15)18-12-10-17(11-13-18)16(2)29(3)4;1-11-16(17-22-23-18(19-3)25-17)21-15(10-20-11)14-8-6-13(7-9-14)12(2)24(4)5;;;/h2-4,6-11,16H,5,12-15H2,1H3,(H2,27,28);5-14H,2H2,1,3-4H3,(H,25,28);6-10H,2H2,1,3-5H3,(H,19,23);3*1H
InChIKeyVZSGFZHVXYFSIX-UHFFFAOYSA-N
MW1240.45 g/mol
LogP11.95
Rot. Bonds15

About 5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-methyl-1,3,4-oxadiazol-2-amine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-phenyl-1,3,4-oxadiazol-2-amine;methyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen

5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-methyl-1,3,4-oxadiazol-2-amine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-phenyl-1,3,4-oxadiazol-2-amine;methyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen (PubChem CID 161444498) has the molecular formula C67H73N19O6 and a molecular weight of 1240.45 g/mol. Its IUPAC name is 5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-methyl-1,3,4-oxadiazol-2-amine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-phenyl-1,3,4-oxadiazol-2-amine;methyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen.

Molecular Properties

Compound Name5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-methyl-1,3,4-oxadiazol-2-amine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-phenyl-1,3,4-oxadiazol-2-amine;methyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen
PubChem CID161444498
Molecular FormulaC67H73N19O6
Molecular Weight1240.45 g/mol
Exact Mass1239.60
IUPAC Name5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-methyl-1,3,4-oxadiazol-2-amine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-phenyl-1,3,4-oxadiazol-2-amine;methyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen
SMILESC=C(c1ccc(-c2cnc(C)c(-c3nnc(NC)o3)n2)cc1)N(C)C.C=C(c1ccc(-c2cnc(C)c(-c3nnc(Nc4ccccc4)o3)n2)cc1)N(C)C.COC(=O)N1CCCN(C(=O)c2ccc(-c3cnc(N)c(-c4nnc(-c5ccccc5)o4)n3)cc2)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C26H25N7O4.C23H22N6O.C18H20N6O.3H2/c1-36-26(35)33-13-5-12-32(14-15-33)25(34)19-10-8-17(9-11-19)20-16-28-22(27)21(29-20)24-31-30-23(37-24)18-6-3-2-4-7-18;1-15-21(22-27-28-23(30-22)25-19-8-6-5-7-9-19)26-20(14-24-15)18-12-10-17(11-13-18)16(2)29(3)4;1-11-16(17-22-23-18(19-3)25-17)21-15(10-20-11)14-8-6-13(7-9-14)12(2)24(4)5;;;/h2-4,6-11,16H,5,12-15H2,1H3,(H2,27,28);5-14H,2H2,1,3-4H3,(H,25,28);6-10H,2H2,1,3-5H3,(H,19,23);3*1H
InChIKeyVZSGFZHVXYFSIX-UHFFFAOYSA-N
XLogP11.95
TPSA300.51 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001240.45
LogP ≤ 511.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze 5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-methyl-1,3,4-oxadiazol-2-amine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-phenyl-1,3,4-oxadiazol-2-amine;methyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen with MolForge

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Related Compounds

[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-(1,4-diazepan-1-yl)methanone
CID 59471882
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone
CID 59472331
4-[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carbaldehyde
CID 59471631
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 59471645
4-[5-Amino-6-[5-(6-amino-2-pyridyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-n,n-dimethyl-benzamide
CID 59471682
[5-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-(1,4-diazepan-1-yl)methanone
CID 59471769
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-ethylpiperazin-1-yl)methanone
CID 59471772
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
CID 59471783
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone
CID 59471871
Ethyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate
CID 59472015
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
CID 59472062
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone
CID 59472095

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-methyl-1,3,4-oxadiazol-2-amine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-phenyl-1,3,4-oxadiazol-2-amine;methyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen?
The IUPAC name of 5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-methyl-1,3,4-oxadiazol-2-amine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-phenyl-1,3,4-oxadiazol-2-amine;methyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen (CID 161444498) is 5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-methyl-1,3,4-oxadiazol-2-amine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-phenyl-1,3,4-oxadiazol-2-amine;methyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen.
What is the SMILES notation for 5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-methyl-1,3,4-oxadiazol-2-amine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-phenyl-1,3,4-oxadiazol-2-amine;methyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen?
The canonical SMILES for 5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-methyl-1,3,4-oxadiazol-2-amine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-phenyl-1,3,4-oxadiazol-2-amine;methyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen is C=C(c1ccc(-c2cnc(C)c(-c3nnc(NC)o3)n2)cc1)N(C)C.C=C(c1ccc(-c2cnc(C)c(-c3nnc(Nc4ccccc4)o3)n2)cc1)N(C)C.COC(=O)N1CCCN(C(=O)c2ccc(-c3cnc(N)c(-c4nnc(-c5ccccc5)o4)n3)cc2)CC1.[H][H].[H][H].[H][H].
What is the InChIKey of 5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-methyl-1,3,4-oxadiazol-2-amine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-phenyl-1,3,4-oxadiazol-2-amine;methyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen?
The InChIKey is VZSGFZHVXYFSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O4.C23H22N6O.C18H20N6O.3H2/c1-36-26(35)33-13-5-12-32(14-15-33)25(34)19-10-8-17(9-11-19)20-16-28-22(27)21(29-20)24-31-30-23(37-24)18-6-3-2-4-7-18;1-15-21(22-27-28-23(30-22)25-19-8-6-5-7-9-19)26-20(14-24-15)18-12-10-17(11-13-18)16(2)29(3)4;1-11-16(17-22-23-18(19-3)25-17)21-15(10-20-11)14-8-6-13(7-9-14)12(2)24(4)5;;;/h2-4,6-11,16H,5,12-15H2,1H3,(H2,27,28);5-14H,2H2,1,3-4H3,(H,25,28);6-10H,2H2,1,3-5H3,(H,19,23);3*1H.
What are the key properties of 5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-methyl-1,3,4-oxadiazol-2-amine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-phenyl-1,3,4-oxadiazol-2-amine;methyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen?
5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-methyl-1,3,4-oxadiazol-2-amine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-phenyl-1,3,4-oxadiazol-2-amine;methyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen has a molecular weight of 1240.45 g/mol, XLogP of 11.95, 15 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-methyl-1,3,4-oxadiazol-2-amine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-phenyl-1,3,4-oxadiazol-2-amine;methyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen is sourced from PubChem (CID 161444498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).