N-(5-ethoxy-2-methylphenyl)-1-phenyl-1,2,4-triazol-3-amine

C17H18N4O — CID 134589763

IUPACN-(5-ethoxy-2-methylphenyl)-1-phenyl-1,2,4-triazol-3-amine
SMILESCCOc1ccc(C)c(Nc2ncn(-c3ccccc3)n2)c1
InChIInChI=1S/C17H18N4O/c1-3-22-15-10-9-13(2)16(11-15)19-17-18-12-21(20-17)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyGFGNETFJJBUKJT-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.72
Rot. Bonds5

About N-(5-ethoxy-2-methylphenyl)-1-phenyl-1,2,4-triazol-3-amine

N-(5-ethoxy-2-methylphenyl)-1-phenyl-1,2,4-triazol-3-amine (PubChem CID 134589763) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(5-ethoxy-2-methylphenyl)-1-phenyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(5-ethoxy-2-methylphenyl)-1-phenyl-1,2,4-triazol-3-amine
PubChem CID134589763
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-(5-ethoxy-2-methylphenyl)-1-phenyl-1,2,4-triazol-3-amine
SMILESCCOc1ccc(C)c(Nc2ncn(-c3ccccc3)n2)c1
InChIInChI=1S/C17H18N4O/c1-3-22-15-10-9-13(2)16(11-15)19-17-18-12-21(20-17)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyGFGNETFJJBUKJT-UHFFFAOYSA-N
XLogP3.72
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluoro-5-propan-2-yloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine
CID 134589402
1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine
CID 134605893
2-methyl-5-(oxolan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 134589514
1-(3,5-difluorophenyl)-N-(3-ethoxyphenyl)-1,2,4-triazol-3-amine
CID 134589675
1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
CID 11770857
6-ethoxy-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine
CID 66502817
ethane;2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine;oxolane
CID 142371455
2-methyl-5-(oxan-4-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 134589899
1-(3,4-difluorophenyl)-N-(5-methoxy-2,3-dimethylphenyl)-1,2,4-triazol-3-amine
CID 134589905
1-(4-ethoxyphenyl)-3-ethyl-1,2,4-triazole
CID 90935639
2-methyl-5-[(3R)-oxolan-3-yl]-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 134589760
N-(5-ethoxy-2-methylphenyl)-3-methylbut-2-enamide
CID 23369793

Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxy-2-methylphenyl)-1-phenyl-1,2,4-triazol-3-amine?
The IUPAC name of N-(5-ethoxy-2-methylphenyl)-1-phenyl-1,2,4-triazol-3-amine (CID 134589763) is N-(5-ethoxy-2-methylphenyl)-1-phenyl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(5-ethoxy-2-methylphenyl)-1-phenyl-1,2,4-triazol-3-amine?
The canonical SMILES for N-(5-ethoxy-2-methylphenyl)-1-phenyl-1,2,4-triazol-3-amine is CCOc1ccc(C)c(Nc2ncn(-c3ccccc3)n2)c1.
What is the InChIKey of N-(5-ethoxy-2-methylphenyl)-1-phenyl-1,2,4-triazol-3-amine?
The InChIKey is GFGNETFJJBUKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-3-22-15-10-9-13(2)16(11-15)19-17-18-12-21(20-17)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,19,20).
What are the key properties of N-(5-ethoxy-2-methylphenyl)-1-phenyl-1,2,4-triazol-3-amine?
N-(5-ethoxy-2-methylphenyl)-1-phenyl-1,2,4-triazol-3-amine has a molecular weight of 294.36 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethoxy-2-methylphenyl)-1-phenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 134589763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).