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

C9H9F2N5 — CID 168918349

IUPAC5-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine
SMILESCc1nc(N)ccc1-c1n[nH]c(C(F)F)n1
InChIInChI=1S/C9H9F2N5/c1-4-5(2-3-6(12)13-4)8-14-9(7(10)11)16-15-8/h2-3,7H,1H3,(H2,12,13)(H,14,15,16)
InChIKeyRRVGUTYBURDDCL-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.69
Rot. Bonds2

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

5-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine (PubChem CID 168918349) has the molecular formula C9H9F2N5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine
PubChem CID168918349
Molecular FormulaC9H9F2N5
Molecular Weight225.20 g/mol
Exact Mass225.08
IUPAC Name5-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine
SMILESCc1nc(N)ccc1-c1n[nH]c(C(F)F)n1
InChIInChI=1S/C9H9F2N5/c1-4-5(2-3-6(12)13-4)8-14-9(7(10)11)16-15-8/h2-3,7H,1H3,(H2,12,13)(H,14,15,16)
InChIKeyRRVGUTYBURDDCL-UHFFFAOYSA-N
XLogP1.69
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine?
The IUPAC name of 5-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine (CID 168918349) is 5-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine.
What is the SMILES notation for 5-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine?
The canonical SMILES for 5-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine is Cc1nc(N)ccc1-c1n[nH]c(C(F)F)n1.
What is the InChIKey of 5-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine?
The InChIKey is RRVGUTYBURDDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N5/c1-4-5(2-3-6(12)13-4)8-14-9(7(10)11)16-15-8/h2-3,7H,1H3,(H2,12,13)(H,14,15,16).
What are the key properties of 5-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine?
5-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine has a molecular weight of 225.20 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-6-methylpyridin-2-amine is sourced from PubChem (CID 168918349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).