4-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylmorpholine

C11H12ClFN4O — CID 170627143

IUPAC4-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylmorpholine
SMILESCC1CN(c2cn3nc(Cl)nc3cc2F)CCO1
InChIInChI=1S/C11H12ClFN4O/c1-7-5-16(2-3-18-7)9-6-17-10(4-8(9)13)14-11(12)15-17/h4,6-7H,2-3,5H2,1H3
InChIKeyWCZYFWNTHQQMOM-UHFFFAOYSA-N
MW270.69 g/mol
LogP1.75
Rot. Bonds1

About 4-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylmorpholine

4-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylmorpholine (PubChem CID 170627143) has the molecular formula C11H12ClFN4O and a molecular weight of 270.69 g/mol. Its IUPAC name is 4-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylmorpholine.

Molecular Properties

Compound Name4-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylmorpholine
PubChem CID170627143
Molecular FormulaC11H12ClFN4O
Molecular Weight270.69 g/mol
Exact Mass270.07
IUPAC Name4-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylmorpholine
SMILESCC1CN(c2cn3nc(Cl)nc3cc2F)CCO1
InChIInChI=1S/C11H12ClFN4O/c1-7-5-16(2-3-18-7)9-6-17-10(4-8(9)13)14-11(12)15-17/h4,6-7H,2-3,5H2,1H3
InChIKeyWCZYFWNTHQQMOM-UHFFFAOYSA-N
XLogP1.75
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylmorpholine?
The IUPAC name of 4-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylmorpholine (CID 170627143) is 4-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylmorpholine.
What is the SMILES notation for 4-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylmorpholine?
The canonical SMILES for 4-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylmorpholine is CC1CN(c2cn3nc(Cl)nc3cc2F)CCO1.
What is the InChIKey of 4-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylmorpholine?
The InChIKey is WCZYFWNTHQQMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4O/c1-7-5-16(2-3-18-7)9-6-17-10(4-8(9)13)14-11(12)15-17/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 4-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylmorpholine?
4-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylmorpholine has a molecular weight of 270.69 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylmorpholine is sourced from PubChem (CID 170627143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).