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

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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).