N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]ethanamine

C11H14FN5O — CID 106597766

IUPACN-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(Oc2ncn(C)n2)c1F
InChIInChI=1S/C11H14FN5O/c1-3-13-6-8-4-5-14-10(9(8)12)18-11-15-7-17(2)16-11/h4-5,7,13H,3,6H2,1-2H3
InChIKeyWHMIHKZDPRIFOH-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.25
Rot. Bonds5

About N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]ethanamine

N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]ethanamine (PubChem CID 106597766) has the molecular formula C11H14FN5O and a molecular weight of 251.27 g/mol. Its IUPAC name is N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]ethanamine
PubChem CID106597766
Molecular FormulaC11H14FN5O
Molecular Weight251.27 g/mol
Exact Mass251.12
IUPAC NameN-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(Oc2ncn(C)n2)c1F
InChIInChI=1S/C11H14FN5O/c1-3-13-6-8-4-5-14-10(9(8)12)18-11-15-7-17(2)16-11/h4-5,7,13H,3,6H2,1-2H3
InChIKeyWHMIHKZDPRIFOH-UHFFFAOYSA-N
XLogP1.25
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]ethanamine (CID 106597766) is N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]ethanamine is CCNCc1ccnc(Oc2ncn(C)n2)c1F.
What is the InChIKey of N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]ethanamine?
The InChIKey is WHMIHKZDPRIFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O/c1-3-13-6-8-4-5-14-10(9(8)12)18-11-15-7-17(2)16-11/h4-5,7,13H,3,6H2,1-2H3.
What are the key properties of N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]ethanamine?
N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]ethanamine has a molecular weight of 251.27 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 106597766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).