4-[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-N,N-dimethylaniline;1,2,4-triazine

C28H27N7O2 — CID 159673771

IUPAC4-[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-N,N-dimethylaniline;1,2,4-triazine
SMILESCOc1ccc(-c2nnc(-c3ccc(N(C)C)cc3)nc2-c2ccc(OC)cc2)cc1.c1cnncn1
InChIInChI=1S/C25H24N4O2.C3H3N3/c1-29(2)20-11-5-19(6-12-20)25-26-23(17-7-13-21(30-3)14-8-17)24(27-28-25)18-9-15-22(31-4)16-10-18;1-2-5-6-3-4-1/h5-16H,1-4H3;1-3H
InChIKeyMUIKQMOHAIFWDE-UHFFFAOYSA-N
MW493.57 g/mol
LogP4.83
Rot. Bonds6

About 4-[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-N,N-dimethylaniline;1,2,4-triazine

4-[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-N,N-dimethylaniline;1,2,4-triazine (PubChem CID 159673771) has the molecular formula C28H27N7O2 and a molecular weight of 493.57 g/mol. Its IUPAC name is 4-[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-N,N-dimethylaniline;1,2,4-triazine.

Molecular Properties

Compound Name4-[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-N,N-dimethylaniline;1,2,4-triazine
PubChem CID159673771
Molecular FormulaC28H27N7O2
Molecular Weight493.57 g/mol
Exact Mass493.22
IUPAC Name4-[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-N,N-dimethylaniline;1,2,4-triazine
SMILESCOc1ccc(-c2nnc(-c3ccc(N(C)C)cc3)nc2-c2ccc(OC)cc2)cc1.c1cnncn1
InChIInChI=1S/C25H24N4O2.C3H3N3/c1-29(2)20-11-5-19(6-12-20)25-26-23(17-7-13-21(30-3)14-8-17)24(27-28-25)18-9-15-22(31-4)16-10-18;1-2-5-6-3-4-1/h5-16H,1-4H3;1-3H
InChIKeyMUIKQMOHAIFWDE-UHFFFAOYSA-N
XLogP4.83
TPSA99.04 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-N,N-dimethylaniline;1,2,4-triazine with MolForge

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Related Compounds

3-[4-[5,6-bis[4-(2-methoxyethoxy)phenyl]-1,2,4-triazin-3-yl]phenyl]-5,6-bis[4-(2-methoxyethoxy)phenyl]-1,2,4-triazine;methane
CID 159687313
ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline
CID 142497579
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
4-[6-[4-(dimethylamino)phenyl]-3-ethoxy-1,2,4-triazin-5-yl]-N,N-dimethylaniline
CID 20549288
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167
N-(4-methoxyphenyl)-N-methylpyrimidin-5-amine
CID 110455016
3-[4-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenyl]phenyl]-5,6-diphenyl-1,2,4-triazine;methane
CID 158126148
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
3-(4-methoxyphenyl)-1,2,4-benzotriazine
CID 12759619
3-N,5-N-bis[[4-(dimethylamino)phenyl]methyl]-3-N,5-N-bis[(4-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 164739686
6-methoxy-N,N-dimethylnaphthalen-2-amine
CID 117043645
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332

Frequently Asked Questions

What is the IUPAC name of 4-[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-N,N-dimethylaniline;1,2,4-triazine?
The IUPAC name of 4-[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-N,N-dimethylaniline;1,2,4-triazine (CID 159673771) is 4-[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-N,N-dimethylaniline;1,2,4-triazine.
What is the SMILES notation for 4-[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-N,N-dimethylaniline;1,2,4-triazine?
The canonical SMILES for 4-[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-N,N-dimethylaniline;1,2,4-triazine is COc1ccc(-c2nnc(-c3ccc(N(C)C)cc3)nc2-c2ccc(OC)cc2)cc1.c1cnncn1.
What is the InChIKey of 4-[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-N,N-dimethylaniline;1,2,4-triazine?
The InChIKey is MUIKQMOHAIFWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2.C3H3N3/c1-29(2)20-11-5-19(6-12-20)25-26-23(17-7-13-21(30-3)14-8-17)24(27-28-25)18-9-15-22(31-4)16-10-18;1-2-5-6-3-4-1/h5-16H,1-4H3;1-3H.
What are the key properties of 4-[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-N,N-dimethylaniline;1,2,4-triazine?
4-[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-N,N-dimethylaniline;1,2,4-triazine has a molecular weight of 493.57 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-N,N-dimethylaniline;1,2,4-triazine is sourced from PubChem (CID 159673771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).