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

C13H11FN6 — CID 79689985

IUPAC4-(3-fluoro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCc1cc(F)cc(-c2nc(N)nc(-n3cccn3)n2)c1
InChIInChI=1S/C13H11FN6/c1-8-5-9(7-10(14)6-8)11-17-12(15)19-13(18-11)20-4-2-3-16-20/h2-7H,1H3,(H2,15,17,18,19)
InChIKeyCQUGXSIMZCNGEA-UHFFFAOYSA-N
MW270.27 g/mol
LogP1.75
Rot. Bonds2

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

4-(3-fluoro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 79689985) has the molecular formula C13H11FN6 and a molecular weight of 270.27 g/mol. Its IUPAC name is 4-(3-fluoro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-fluoro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID79689985
Molecular FormulaC13H11FN6
Molecular Weight270.27 g/mol
Exact Mass270.10
IUPAC Name4-(3-fluoro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCc1cc(F)cc(-c2nc(N)nc(-n3cccn3)n2)c1
InChIInChI=1S/C13H11FN6/c1-8-5-9(7-10(14)6-8)11-17-12(15)19-13(18-11)20-4-2-3-16-20/h2-7H,1H3,(H2,15,17,18,19)
InChIKeyCQUGXSIMZCNGEA-UHFFFAOYSA-N
XLogP1.75
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-fluoro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 79689985) is 4-(3-fluoro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-fluoro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-fluoro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is Cc1cc(F)cc(-c2nc(N)nc(-n3cccn3)n2)c1.
What is the InChIKey of 4-(3-fluoro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is CQUGXSIMZCNGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN6/c1-8-5-9(7-10(14)6-8)11-17-12(15)19-13(18-11)20-4-2-3-16-20/h2-7H,1H3,(H2,15,17,18,19).
What are the key properties of 4-(3-fluoro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-(3-fluoro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 270.27 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 79689985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).