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

C12H16FN5O — CID 106597765

IUPACN-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(Oc2ncn(C)n2)c1F
InChIInChI=1S/C12H16FN5O/c1-8(2)15-6-9-4-5-14-11(10(9)13)19-12-16-7-18(3)17-12/h4-5,7-8,15H,6H2,1-3H3
InChIKeyHHYXLIYEPFCYEJ-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.64
Rot. Bonds5

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

N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]propan-2-amine (PubChem CID 106597765) has the molecular formula C12H16FN5O and a molecular weight of 265.29 g/mol. Its IUPAC name is N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]propan-2-amine
PubChem CID106597765
Molecular FormulaC12H16FN5O
Molecular Weight265.29 g/mol
Exact Mass265.13
IUPAC NameN-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(Oc2ncn(C)n2)c1F
InChIInChI=1S/C12H16FN5O/c1-8(2)15-6-9-4-5-14-11(10(9)13)19-12-16-7-18(3)17-12/h4-5,7-8,15H,6H2,1-3H3
InChIKeyHHYXLIYEPFCYEJ-UHFFFAOYSA-N
XLogP1.64
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.64
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]propan-2-amine?
The IUPAC name of N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]propan-2-amine (CID 106597765) is N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccnc(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]propan-2-amine?
The InChIKey is HHYXLIYEPFCYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5O/c1-8(2)15-6-9-4-5-14-11(10(9)13)19-12-16-7-18(3)17-12/h4-5,7-8,15H,6H2,1-3H3.
What are the key properties of N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]propan-2-amine?
N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 265.29 g/mol, XLogP of 1.64, 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]propan-2-amine is sourced from PubChem (CID 106597765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).