5-(3,4-dimethoxy-5-methylphenyl)-6-methyl-N-(1-phenylbutyl)-1,2,4-triazin-3-amine

C23H28N4O2 — CID 130318448

IUPAC5-(3,4-dimethoxy-5-methylphenyl)-6-methyl-N-(1-phenylbutyl)-1,2,4-triazin-3-amine
SMILESCCCC(Nc1nnc(C)c(-c2cc(C)c(OC)c(OC)c2)n1)c1ccccc1
InChIInChI=1S/C23H28N4O2/c1-6-10-19(17-11-8-7-9-12-17)24-23-25-21(16(3)26-27-23)18-13-15(2)22(29-5)20(14-18)28-4/h7-9,11-14,19H,6,10H2,1-5H3,(H,24,25,27)
InChIKeyXCQCNYOUWNOFTP-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.13
Rot. Bonds8

About 5-(3,4-dimethoxy-5-methylphenyl)-6-methyl-N-(1-phenylbutyl)-1,2,4-triazin-3-amine

5-(3,4-dimethoxy-5-methylphenyl)-6-methyl-N-(1-phenylbutyl)-1,2,4-triazin-3-amine (PubChem CID 130318448) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 5-(3,4-dimethoxy-5-methylphenyl)-6-methyl-N-(1-phenylbutyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxy-5-methylphenyl)-6-methyl-N-(1-phenylbutyl)-1,2,4-triazin-3-amine
PubChem CID130318448
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name5-(3,4-dimethoxy-5-methylphenyl)-6-methyl-N-(1-phenylbutyl)-1,2,4-triazin-3-amine
SMILESCCCC(Nc1nnc(C)c(-c2cc(C)c(OC)c(OC)c2)n1)c1ccccc1
InChIInChI=1S/C23H28N4O2/c1-6-10-19(17-11-8-7-9-12-17)24-23-25-21(16(3)26-27-23)18-13-15(2)22(29-5)20(14-18)28-4/h7-9,11-14,19H,6,10H2,1-5H3,(H,24,25,27)
InChIKeyXCQCNYOUWNOFTP-UHFFFAOYSA-N
XLogP5.13
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3,4-dimethoxy-5-methylphenyl)-6-methyl-N-(1-phenylbutyl)-1,2,4-triazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-2,4-dimethyl-N-(1-phenylbutyl)aniline
CID 43738935
2,5-dimethoxy-N-(1-phenylbutyl)aniline
CID 43099657
butane;cumene;2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazine
CID 142157595
2-methoxy-4-[5-(1-phenylbutylamino)-3-pyridinyl]phenol
CID 11163875
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17156042
2,5-dimethyl-N-(1-phenylbutyl)aniline
CID 43110358
1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 17156114
6-[4-[4-(diethylamino)butoxy]-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;methane
CID 159299405
2-methoxy-N-(1-phenylbutyl)pyridin-3-amine
CID 43721710
3-bromo-4-methyl-N-(1-phenylbutyl)aniline
CID 63463611
5-methyl-N-(1-phenylbutyl)pyridin-3-amine
CID 113354141
N-[1-(3-methoxyphenyl)butyl]naphthalen-1-amine
CID 70057339

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxy-5-methylphenyl)-6-methyl-N-(1-phenylbutyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3,4-dimethoxy-5-methylphenyl)-6-methyl-N-(1-phenylbutyl)-1,2,4-triazin-3-amine (CID 130318448) is 5-(3,4-dimethoxy-5-methylphenyl)-6-methyl-N-(1-phenylbutyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3,4-dimethoxy-5-methylphenyl)-6-methyl-N-(1-phenylbutyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3,4-dimethoxy-5-methylphenyl)-6-methyl-N-(1-phenylbutyl)-1,2,4-triazin-3-amine is CCCC(Nc1nnc(C)c(-c2cc(C)c(OC)c(OC)c2)n1)c1ccccc1.
What is the InChIKey of 5-(3,4-dimethoxy-5-methylphenyl)-6-methyl-N-(1-phenylbutyl)-1,2,4-triazin-3-amine?
The InChIKey is XCQCNYOUWNOFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-6-10-19(17-11-8-7-9-12-17)24-23-25-21(16(3)26-27-23)18-13-15(2)22(29-5)20(14-18)28-4/h7-9,11-14,19H,6,10H2,1-5H3,(H,24,25,27).
What are the key properties of 5-(3,4-dimethoxy-5-methylphenyl)-6-methyl-N-(1-phenylbutyl)-1,2,4-triazin-3-amine?
5-(3,4-dimethoxy-5-methylphenyl)-6-methyl-N-(1-phenylbutyl)-1,2,4-triazin-3-amine has a molecular weight of 392.50 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxy-5-methylphenyl)-6-methyl-N-(1-phenylbutyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 130318448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).