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

C12H14FN5O — CID 106597767

IUPACN-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]cyclopropanamine
SMILESCn1cnc(Oc2nccc(CNC3CC3)c2F)n1
InChIInChI=1S/C12H14FN5O/c1-18-7-16-12(17-18)19-11-10(13)8(4-5-14-11)6-15-9-2-3-9/h4-5,7,9,15H,2-3,6H2,1H3
InChIKeyZLOOGRGJJKIZGN-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.39
Rot. Bonds5

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

N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 106597767) has the molecular formula C12H14FN5O and a molecular weight of 263.28 g/mol. Its IUPAC name is N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]cyclopropanamine
PubChem CID106597767
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC NameN-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]cyclopropanamine
SMILESCn1cnc(Oc2nccc(CNC3CC3)c2F)n1
InChIInChI=1S/C12H14FN5O/c1-18-7-16-12(17-18)19-11-10(13)8(4-5-14-11)6-15-9-2-3-9/h4-5,7,9,15H,2-3,6H2,1H3
InChIKeyZLOOGRGJJKIZGN-UHFFFAOYSA-N
XLogP1.39
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.39
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]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]cyclopropanamine (CID 106597767) is N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]cyclopropanamine is Cn1cnc(Oc2nccc(CNC3CC3)c2F)n1.
What is the InChIKey of N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is ZLOOGRGJJKIZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O/c1-18-7-16-12(17-18)19-11-10(13)8(4-5-14-11)6-15-9-2-3-9/h4-5,7,9,15H,2-3,6H2,1H3.
What are the key properties of N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]cyclopropanamine?
N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 263.28 g/mol, XLogP of 1.39, 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]cyclopropanamine is sourced from PubChem (CID 106597767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).