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

C12H10FN7O — CID 82792835

IUPAC4-(2-fluoro-3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCOc1cccc(-c2nc(N)nc(-n3cncn3)n2)c1F
InChIInChI=1S/C12H10FN7O/c1-21-8-4-2-3-7(9(8)13)10-17-11(14)19-12(18-10)20-6-15-5-16-20/h2-6H,1H3,(H2,14,17,18,19)
InChIKeyBIWUYBUUXVHAEV-UHFFFAOYSA-N
MW287.26 g/mol
LogP0.85
Rot. Bonds3

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

4-(2-fluoro-3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 82792835) has the molecular formula C12H10FN7O and a molecular weight of 287.26 g/mol. Its IUPAC name is 4-(2-fluoro-3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-fluoro-3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID82792835
Molecular FormulaC12H10FN7O
Molecular Weight287.26 g/mol
Exact Mass287.09
IUPAC Name4-(2-fluoro-3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCOc1cccc(-c2nc(N)nc(-n3cncn3)n2)c1F
InChIInChI=1S/C12H10FN7O/c1-21-8-4-2-3-7(9(8)13)10-17-11(14)19-12(18-10)20-6-15-5-16-20/h2-6H,1H3,(H2,14,17,18,19)
InChIKeyBIWUYBUUXVHAEV-UHFFFAOYSA-N
XLogP0.85
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-fluoro-3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 82792835) is 4-(2-fluoro-3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-fluoro-3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-fluoro-3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is COc1cccc(-c2nc(N)nc(-n3cncn3)n2)c1F.
What is the InChIKey of 4-(2-fluoro-3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is BIWUYBUUXVHAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN7O/c1-21-8-4-2-3-7(9(8)13)10-17-11(14)19-12(18-10)20-6-15-5-16-20/h2-6H,1H3,(H2,14,17,18,19).
What are the key properties of 4-(2-fluoro-3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-(2-fluoro-3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 287.26 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 82792835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).