6-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridin-2-amine

C9H8F3N5 — CID 168918313

IUPAC6-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridin-2-amine
SMILESCc1nc(N)ccc1-c1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N5/c1-4-5(2-3-6(13)14-4)7-15-8(17-16-7)9(10,11)12/h2-3H,1H3,(H2,13,14)(H,15,16,17)
InChIKeyVPZOZWGMSOFEJS-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.78
Rot. Bonds1

About 6-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridin-2-amine

6-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridin-2-amine (PubChem CID 168918313) has the molecular formula C9H8F3N5 and a molecular weight of 243.19 g/mol. Its IUPAC name is 6-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridin-2-amine
PubChem CID168918313
Molecular FormulaC9H8F3N5
Molecular Weight243.19 g/mol
Exact Mass243.07
IUPAC Name6-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridin-2-amine
SMILESCc1nc(N)ccc1-c1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N5/c1-4-5(2-3-6(13)14-4)7-15-8(17-16-7)9(10,11)12/h2-3H,1H3,(H2,13,14)(H,15,16,17)
InChIKeyVPZOZWGMSOFEJS-UHFFFAOYSA-N
XLogP1.78
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridin-2-amine?
The IUPAC name of 6-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridin-2-amine (CID 168918313) is 6-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 6-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridin-2-amine?
The canonical SMILES for 6-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridin-2-amine is Cc1nc(N)ccc1-c1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 6-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridin-2-amine?
The InChIKey is VPZOZWGMSOFEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5/c1-4-5(2-3-6(13)14-4)7-15-8(17-16-7)9(10,11)12/h2-3H,1H3,(H2,13,14)(H,15,16,17).
What are the key properties of 6-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridin-2-amine?
6-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridin-2-amine has a molecular weight of 243.19 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 168918313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).