6-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine

C7H7FN4 — CID 130313391

IUPAC6-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCNc1nnc2ccc(F)cn12
InChIInChI=1S/C7H7FN4/c1-9-7-11-10-6-3-2-5(8)4-12(6)7/h2-4H,1H3,(H,9,11)
InChIKeyPYKSSBHYYROUGC-UHFFFAOYSA-N
MW166.16 g/mol
LogP0.91
Rot. Bonds1

About 6-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine

6-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine (PubChem CID 130313391) has the molecular formula C7H7FN4 and a molecular weight of 166.16 g/mol. Its IUPAC name is 6-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine
PubChem CID130313391
Molecular FormulaC7H7FN4
Molecular Weight166.16 g/mol
Exact Mass166.07
IUPAC Name6-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCNc1nnc2ccc(F)cn12
InChIInChI=1S/C7H7FN4/c1-9-7-11-10-6-3-2-5(8)4-12(6)7/h2-4H,1H3,(H,9,11)
InChIKeyPYKSSBHYYROUGC-UHFFFAOYSA-N
XLogP0.91
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The IUPAC name of 6-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine (CID 130313391) is 6-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine.
What is the SMILES notation for 6-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The canonical SMILES for 6-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine is CNc1nnc2ccc(F)cn12.
What is the InChIKey of 6-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The InChIKey is PYKSSBHYYROUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN4/c1-9-7-11-10-6-3-2-5(8)4-12(6)7/h2-4H,1H3,(H,9,11).
What are the key properties of 6-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
6-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine has a molecular weight of 166.16 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine is sourced from PubChem (CID 130313391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).