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

C13H18FN5O — CID 106598019

IUPACN-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccnc(Oc2ncn(C)n2)c1F
InChIInChI=1S/C13H18FN5O/c1-9(2)6-15-7-10-4-5-16-12(11(10)14)20-13-17-8-19(3)18-13/h4-5,8-9,15H,6-7H2,1-3H3
InChIKeyRQWRAMLFMYWSLR-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.89
Rot. Bonds6

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

N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 106598019) has the molecular formula C13H18FN5O and a molecular weight of 279.32 g/mol. Its IUPAC name is N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID106598019
Molecular FormulaC13H18FN5O
Molecular Weight279.32 g/mol
Exact Mass279.15
IUPAC NameN-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccnc(Oc2ncn(C)n2)c1F
InChIInChI=1S/C13H18FN5O/c1-9(2)6-15-7-10-4-5-16-12(11(10)14)20-13-17-8-19(3)18-13/h4-5,8-9,15H,6-7H2,1-3H3
InChIKeyRQWRAMLFMYWSLR-UHFFFAOYSA-N
XLogP1.89
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.89
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]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 106598019) is N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccnc(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]-2-methylpropan-1-amine?
The InChIKey is RQWRAMLFMYWSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN5O/c1-9(2)6-15-7-10-4-5-16-12(11(10)14)20-13-17-8-19(3)18-13/h4-5,8-9,15H,6-7H2,1-3H3.
What are the key properties of N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 279.32 g/mol, XLogP of 1.89, 6 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]-2-methylpropan-1-amine is sourced from PubChem (CID 106598019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).