5-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine

C10H11F2N5 — CID 168918350

IUPAC5-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine
SMILESCc1nc(N)ccc1-c1n[nH]c(C(C)(F)F)n1
InChIInChI=1S/C10H11F2N5/c1-5-6(3-4-7(13)14-5)8-15-9(17-16-8)10(2,11)12/h3-4H,1-2H3,(H2,13,14)(H,15,16,17)
InChIKeyKPHCAYMLOOQVHT-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.87
Rot. Bonds2

About 5-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine

5-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine (PubChem CID 168918350) has the molecular formula C10H11F2N5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 5-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine
PubChem CID168918350
Molecular FormulaC10H11F2N5
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Name5-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine
SMILESCc1nc(N)ccc1-c1n[nH]c(C(C)(F)F)n1
InChIInChI=1S/C10H11F2N5/c1-5-6(3-4-7(13)14-5)8-15-9(17-16-8)10(2,11)12/h3-4H,1-2H3,(H2,13,14)(H,15,16,17)
InChIKeyKPHCAYMLOOQVHT-UHFFFAOYSA-N
XLogP1.87
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine?
The IUPAC name of 5-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine (CID 168918350) is 5-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine.
What is the SMILES notation for 5-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine?
The canonical SMILES for 5-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine is Cc1nc(N)ccc1-c1n[nH]c(C(C)(F)F)n1.
What is the InChIKey of 5-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine?
The InChIKey is KPHCAYMLOOQVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N5/c1-5-6(3-4-7(13)14-5)8-15-9(17-16-8)10(2,11)12/h3-4H,1-2H3,(H2,13,14)(H,15,16,17).
What are the key properties of 5-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine?
5-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine has a molecular weight of 239.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine is sourced from PubChem (CID 168918350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).