4-ethoxy-6-(3-phenyltriazol-4-yl)-1,3,5-triazin-2-amine

C13H13N7O — CID 114691062

IUPAC4-ethoxy-6-(3-phenyltriazol-4-yl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(-c2cnnn2-c2ccccc2)n1
InChIInChI=1S/C13H13N7O/c1-2-21-13-17-11(16-12(14)18-13)10-8-15-19-20(10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,14,16,17,18)
InChIKeyCNEFYHWUYJPIBV-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.10
Rot. Bonds4

About 4-ethoxy-6-(3-phenyltriazol-4-yl)-1,3,5-triazin-2-amine

4-ethoxy-6-(3-phenyltriazol-4-yl)-1,3,5-triazin-2-amine (PubChem CID 114691062) has the molecular formula C13H13N7O and a molecular weight of 283.30 g/mol. Its IUPAC name is 4-ethoxy-6-(3-phenyltriazol-4-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(3-phenyltriazol-4-yl)-1,3,5-triazin-2-amine
PubChem CID114691062
Molecular FormulaC13H13N7O
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name4-ethoxy-6-(3-phenyltriazol-4-yl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(-c2cnnn2-c2ccccc2)n1
InChIInChI=1S/C13H13N7O/c1-2-21-13-17-11(16-12(14)18-13)10-8-15-19-20(10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,14,16,17,18)
InChIKeyCNEFYHWUYJPIBV-UHFFFAOYSA-N
XLogP1.10
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-ethoxy-6-(3-phenyltriazol-4-yl)-1,3,5-triazin-2-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

5-Methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
CID 71601630
5-Ethyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
CID 118708215
2-[[1-(3,4-Difluorophenyl)triazol-4-yl]methoxy]-5-fluoropyrimidine
CID 130309864
2-Phenyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
CID 118708217
2,4-diethoxy-6-(1-phenyl-1H-pyrrol-2-yl)-1,3,5-triazine
CID 285471
2-[[1-(3-Fluorophenyl)triazol-4-yl]methoxy]pyrimidine
CID 130309553
5-Fluoro-2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine
CID 130309554
2-[[1-(3,4-Difluorophenyl)triazol-4-yl]methoxy]pyrimidine
CID 130309863
2-[[1-(2,3-Difluorophenyl)triazol-4-yl]methoxy]pyrimidine
CID 130309873
N,N-dimethyl-4-[2-(1-piperidin-4-yl-1H-1,2,3-triazol-4-yl)-1H-imidazol-1-yl]aniline
CID 70747868
4-[3-(Ethoxymethyl)-5-(4-fluorophenyl)triazol-4-yl]pyrimidin-2-amine
CID 9901403
2-[[1-(2,3-Difluorophenyl)triazol-4-yl]methoxy]-5-fluoropyrimidine
CID 130309872

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(3-phenyltriazol-4-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-(3-phenyltriazol-4-yl)-1,3,5-triazin-2-amine (CID 114691062) is 4-ethoxy-6-(3-phenyltriazol-4-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(3-phenyltriazol-4-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-(3-phenyltriazol-4-yl)-1,3,5-triazin-2-amine is CCOc1nc(N)nc(-c2cnnn2-c2ccccc2)n1.
What is the InChIKey of 4-ethoxy-6-(3-phenyltriazol-4-yl)-1,3,5-triazin-2-amine?
The InChIKey is CNEFYHWUYJPIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O/c1-2-21-13-17-11(16-12(14)18-13)10-8-15-19-20(10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,14,16,17,18).
What are the key properties of 4-ethoxy-6-(3-phenyltriazol-4-yl)-1,3,5-triazin-2-amine?
4-ethoxy-6-(3-phenyltriazol-4-yl)-1,3,5-triazin-2-amine has a molecular weight of 283.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(3-phenyltriazol-4-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 114691062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).