N-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C11H14F2N4O — CID 114127825

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cccc2nc(NCCOCC(F)F)nn12
InChIInChI=1S/C11H14F2N4O/c1-8-3-2-4-10-15-11(16-17(8)10)14-5-6-18-7-9(12)13/h2-4,9H,5-7H2,1H3,(H,14,16)
InChIKeyOJAVWOHPEWOZCV-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.73
Rot. Bonds6

About N-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 114127825) has the molecular formula C11H14F2N4O and a molecular weight of 256.26 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID114127825
Molecular FormulaC11H14F2N4O
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cccc2nc(NCCOCC(F)F)nn12
InChIInChI=1S/C11H14F2N4O/c1-8-3-2-4-10-15-11(16-17(8)10)14-5-6-18-7-9(12)13/h2-4,9H,5-7H2,1H3,(H,14,16)
InChIKeyOJAVWOHPEWOZCV-UHFFFAOYSA-N
XLogP1.73
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 114127825) is N-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cccc2nc(NCCOCC(F)F)nn12.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is OJAVWOHPEWOZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4O/c1-8-3-2-4-10-15-11(16-17(8)10)14-5-6-18-7-9(12)13/h2-4,9H,5-7H2,1H3,(H,14,16).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 256.26 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 114127825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).