6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine

C18H19N5O — CID 67365798

IUPAC6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2nc(N)nnc2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H19N5O/c1-23(2)14-8-4-13(5-9-14)17-16(20-18(19)22-21-17)12-6-10-15(24-3)11-7-12/h4-11H,1-3H3,(H2,19,20,22)
InChIKeyXSWOMRXYRHUYLR-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.86
Rot. Bonds4

About 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine

6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine (PubChem CID 67365798) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine
PubChem CID67365798
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2nc(N)nnc2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H19N5O/c1-23(2)14-8-4-13(5-9-14)17-16(20-18(19)22-21-17)12-6-10-15(24-3)11-7-12/h4-11H,1-3H3,(H2,19,20,22)
InChIKeyXSWOMRXYRHUYLR-UHFFFAOYSA-N
XLogP2.86
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44556112
Anitrazafen
CID 44410
4-[(E)-{2-[5-(4-Methoxyphenyl)-1,2,4-triazin-3-YL]hydrazin-1-ylidene}methyl]phenol
CID 135439774
as-Triazine, 3-hydrazino-5-(4-methoxyphenyl)-
CID 3042264
7-(4-Methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 974683
N-[(4-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
CID 46742341
N-(2-amino-4,5-diphenyl-1H-imidazol-1-yl)-N-(4-methoxybenzylidene)amine
CID 9552908
1,2,4-Triazine, 5,6-bis(4-methoxyphenyl)-3-(methylthio)-
CID 617240
US10988455, Example 1(cxlvi)
CID 67364613
Benzaldehyde, (5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl)hydrazone
CID 24834231
as-Triazine, 5,6-diphenyl-3-phenoxy-
CID 202727
1,2,4-Triazine, 5,6-bis(4-methoxyphenyl)-
CID 210212

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine (CID 67365798) is 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine is COc1ccc(-c2nc(N)nnc2-c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine?
The InChIKey is XSWOMRXYRHUYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-23(2)14-8-4-13(5-9-14)17-16(20-18(19)22-21-17)12-6-10-15(24-3)11-7-12/h4-11H,1-3H3,(H2,19,20,22).
What are the key properties of 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine?
6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine has a molecular weight of 321.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 67365798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).