4-(5-fluoro-2-methylphenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C13H11FN6O — CID 102988931

IUPAC4-(5-fluoro-2-methylphenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(F)cc1Oc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C13H11FN6O/c1-8-3-4-9(14)7-10(8)21-13-18-11(15)17-12(19-13)20-6-2-5-16-20/h2-7H,1H3,(H2,15,17,18,19)
InChIKeySKISBVLTRKUULL-UHFFFAOYSA-N
MW286.27 g/mol
LogP1.88
Rot. Bonds3

About 4-(5-fluoro-2-methylphenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-(5-fluoro-2-methylphenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 102988931) has the molecular formula C13H11FN6O and a molecular weight of 286.27 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID102988931
Molecular FormulaC13H11FN6O
Molecular Weight286.27 g/mol
Exact Mass286.10
IUPAC Name4-(5-fluoro-2-methylphenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(F)cc1Oc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C13H11FN6O/c1-8-3-4-9(14)7-10(8)21-13-18-11(15)17-12(19-13)20-6-2-5-16-20/h2-7H,1H3,(H2,15,17,18,19)
InChIKeySKISBVLTRKUULL-UHFFFAOYSA-N
XLogP1.88
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2,4-dibromophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80871198
4-(5-bromo-2-chlorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80879379
4-(2,5-dimethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80866768
4-(3-fluoro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 79689985
4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80860065
[4-(2-fluorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80909244
4-(5-fluoro-2-methylphenoxy)quinazolin-2-amine
CID 102989130
4-(3-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80895321
4-(3-methoxypropoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80865388
2-chloro-4-(3,4-dimethylphenoxy)-6-pyrazol-1-yl-1,3,5-triazine
CID 62870497
4-heptoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80862326
2-N-(2,5-dimethylphenyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80736572

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(5-fluoro-2-methylphenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 102988931) is 4-(5-fluoro-2-methylphenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(5-fluoro-2-methylphenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(5-fluoro-2-methylphenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is Cc1ccc(F)cc1Oc1nc(N)nc(-n2cccn2)n1.
What is the InChIKey of 4-(5-fluoro-2-methylphenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is SKISBVLTRKUULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN6O/c1-8-3-4-9(14)7-10(8)21-13-18-11(15)17-12(19-13)20-6-2-5-16-20/h2-7H,1H3,(H2,15,17,18,19).
What are the key properties of 4-(5-fluoro-2-methylphenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-(5-fluoro-2-methylphenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 286.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 102988931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).