4-(3-ethylphenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C13H13N7O — CID 80846676

IUPAC4-(3-ethylphenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCc1cccc(Oc2nc(N)nc(-n3cncn3)n2)c1
InChIInChI=1S/C13H13N7O/c1-2-9-4-3-5-10(6-9)21-13-18-11(14)17-12(19-13)20-8-15-7-16-20/h3-8H,2H2,1H3,(H2,14,17,18,19)
InChIKeyADYYAGFFSBLGCV-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.39
Rot. Bonds4

About 4-(3-ethylphenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

4-(3-ethylphenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80846676) has the molecular formula C13H13N7O and a molecular weight of 283.30 g/mol. Its IUPAC name is 4-(3-ethylphenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-ethylphenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80846676
Molecular FormulaC13H13N7O
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name4-(3-ethylphenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCc1cccc(Oc2nc(N)nc(-n3cncn3)n2)c1
InChIInChI=1S/C13H13N7O/c1-2-9-4-3-5-10(6-9)21-13-18-11(14)17-12(19-13)20-8-15-7-16-20/h3-8H,2H2,1H3,(H2,14,17,18,19)
InChIKeyADYYAGFFSBLGCV-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80845966
4-(3-ethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80859995
4-(2-methylsulfanylphenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80880693
4-(3-bromophenoxy)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80866982
4-(pyridin-3-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 104737196
2-N-[(3-chlorophenyl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80803262
4-but-3-enoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80861454
2-N-benzyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80770243
4-(2-fluoro-3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 82792835
4-propylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80886795
4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80774894
4-(3-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80866937

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-ethylphenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 80846676) is 4-(3-ethylphenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-ethylphenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-ethylphenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CCc1cccc(Oc2nc(N)nc(-n3cncn3)n2)c1.
What is the InChIKey of 4-(3-ethylphenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is ADYYAGFFSBLGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O/c1-2-9-4-3-5-10(6-9)21-13-18-11(14)17-12(19-13)20-8-15-7-16-20/h3-8H,2H2,1H3,(H2,14,17,18,19).
What are the key properties of 4-(3-ethylphenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-(3-ethylphenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 283.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80846676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).