2-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]prop-2-enamide

C11H15FN4O2 — CID 166417366

IUPAC2-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]prop-2-enamide
SMILESC=C(F)C(=O)NC1CCCn2nc(COC)nc21
InChIInChI=1S/C11H15FN4O2/c1-7(12)11(17)13-8-4-3-5-16-10(8)14-9(15-16)6-18-2/h8H,1,3-6H2,2H3,(H,13,17)
InChIKeyMKLFMAYIIZXUNP-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.86
Rot. Bonds4

About 2-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]prop-2-enamide

2-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]prop-2-enamide (PubChem CID 166417366) has the molecular formula C11H15FN4O2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]prop-2-enamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]prop-2-enamide
PubChem CID166417366
Molecular FormulaC11H15FN4O2
Molecular Weight254.26 g/mol
Exact Mass254.12
IUPAC Name2-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]prop-2-enamide
SMILESC=C(F)C(=O)NC1CCCn2nc(COC)nc21
InChIInChI=1S/C11H15FN4O2/c1-7(12)11(17)13-8-4-3-5-16-10(8)14-9(15-16)6-18-2/h8H,1,3-6H2,2H3,(H,13,17)
InChIKeyMKLFMAYIIZXUNP-UHFFFAOYSA-N
XLogP0.86
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]prop-2-enamide?
The IUPAC name of 2-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]prop-2-enamide (CID 166417366) is 2-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]prop-2-enamide.
What is the SMILES notation for 2-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]prop-2-enamide?
The canonical SMILES for 2-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]prop-2-enamide is C=C(F)C(=O)NC1CCCn2nc(COC)nc21.
What is the InChIKey of 2-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]prop-2-enamide?
The InChIKey is MKLFMAYIIZXUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O2/c1-7(12)11(17)13-8-4-3-5-16-10(8)14-9(15-16)6-18-2/h8H,1,3-6H2,2H3,(H,13,17).
What are the key properties of 2-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]prop-2-enamide?
2-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]prop-2-enamide has a molecular weight of 254.26 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]prop-2-enamide is sourced from PubChem (CID 166417366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).