1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine

C17H18N4O2 — CID 134605893

IUPAC1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine
SMILESCCOc1cccc(-n2cnc(Nc3cccc(OC)c3)n2)c1
InChIInChI=1S/C17H18N4O2/c1-3-23-16-9-5-7-14(11-16)21-12-18-17(20-21)19-13-6-4-8-15(10-13)22-2/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyRTLFPPUVOXLOCJ-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.42
Rot. Bonds6

About 1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine

1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine (PubChem CID 134605893) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine
PubChem CID134605893
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine
SMILESCCOc1cccc(-n2cnc(Nc3cccc(OC)c3)n2)c1
InChIInChI=1S/C17H18N4O2/c1-3-23-16-9-5-7-14(11-16)21-12-18-17(20-21)19-13-6-4-8-15(10-13)22-2/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyRTLFPPUVOXLOCJ-UHFFFAOYSA-N
XLogP3.42
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-(3,5-dimethoxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine
CID 134589915
N-(5-ethoxy-2-methylphenyl)-1-phenyl-1,2,4-triazol-3-amine
CID 134589763
N-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine
CID 134589560
1-(3-fluorophenyl)-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
CID 134589818
1-(4-ethoxyphenyl)-2-(3-methoxyanilino)-4H-imidazol-5-one;hydrochloride
CID 171668608
2-N-(3-ethoxyphenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80785951
N-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80905492
1-(3,4-difluorophenyl)-N-(3-fluoro-5-methoxyphenyl)-1,2,4-triazol-3-amine
CID 134589554
N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414475
2-N-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536406

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine (CID 134605893) is 1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine is CCOc1cccc(-n2cnc(Nc3cccc(OC)c3)n2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine?
The InChIKey is RTLFPPUVOXLOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-23-16-9-5-7-14(11-16)21-12-18-17(20-21)19-13-6-4-8-15(10-13)22-2/h4-12H,3H2,1-2H3,(H,19,20).
What are the key properties of 1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine?
1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine has a molecular weight of 310.36 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 134605893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).