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

C11H11N7O — CID 80853407

IUPAC4-(benzotriazol-1-yl)-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(-n2nnc3ccccc32)n1
InChIInChI=1S/C11H11N7O/c1-2-19-11-14-9(12)13-10(15-11)18-8-6-4-3-5-7(8)16-17-18/h3-6H,2H2,1H3,(H2,12,13,14,15)
InChIKeyXVMATGHLVOBFTH-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.59
Rot. Bonds3

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

4-(benzotriazol-1-yl)-6-ethoxy-1,3,5-triazin-2-amine (PubChem CID 80853407) has the molecular formula C11H11N7O and a molecular weight of 257.26 g/mol. Its IUPAC name is 4-(benzotriazol-1-yl)-6-ethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(benzotriazol-1-yl)-6-ethoxy-1,3,5-triazin-2-amine
PubChem CID80853407
Molecular FormulaC11H11N7O
Molecular Weight257.26 g/mol
Exact Mass257.10
IUPAC Name4-(benzotriazol-1-yl)-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(-n2nnc3ccccc32)n1
InChIInChI=1S/C11H11N7O/c1-2-19-11-14-9(12)13-10(15-11)18-8-6-4-3-5-7(8)16-17-18/h3-6H,2H2,1H3,(H2,12,13,14,15)
InChIKeyXVMATGHLVOBFTH-UHFFFAOYSA-N
XLogP0.59
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(benzotriazol-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 80854027
[4-(benzotriazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80901279
2-(benzotriazol-1-yl)-4-ethoxy-5-fluoroaniline
CID 63593244
4,6-bis(benzotriazol-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine
CID 1014695
[2-(benzotriazol-1-yl)pyrimidin-4-yl]methanamine
CID 107542354
6-(benzotriazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80840784
[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83189865
4-(benzotriazol-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62863325
ethyl 2-amino-3-(benzotriazol-1-yl)benzoate
CID 115546749
6-(benzotriazol-1-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19154249
2-(benzotriazol-1-yl)-9-[(2-ethoxy-3-fluorophenyl)methyl]-7H-purin-8-one
CID 143306734
ethyl 4-(benzotriazol-1-yl)-1H-pyrrole-2-carboxylate
CID 11043346

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-yl)-6-ethoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(benzotriazol-1-yl)-6-ethoxy-1,3,5-triazin-2-amine (CID 80853407) is 4-(benzotriazol-1-yl)-6-ethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(benzotriazol-1-yl)-6-ethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(benzotriazol-1-yl)-6-ethoxy-1,3,5-triazin-2-amine is CCOc1nc(N)nc(-n2nnc3ccccc32)n1.
What is the InChIKey of 4-(benzotriazol-1-yl)-6-ethoxy-1,3,5-triazin-2-amine?
The InChIKey is XVMATGHLVOBFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O/c1-2-19-11-14-9(12)13-10(15-11)18-8-6-4-3-5-7(8)16-17-18/h3-6H,2H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-(benzotriazol-1-yl)-6-ethoxy-1,3,5-triazin-2-amine?
4-(benzotriazol-1-yl)-6-ethoxy-1,3,5-triazin-2-amine has a molecular weight of 257.26 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-1-yl)-6-ethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80853407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).