N-[[1-[[5-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine

C20H24FN5O — CID 146103977

IUPACN-[[1-[[5-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(F)cc1-c1cncc(Cn2cc(CNCC(C)C)nn2)c1
InChIInChI=1S/C20H24FN5O/c1-14(2)8-22-11-18-13-26(25-24-18)12-15-6-16(10-23-9-15)19-7-17(21)4-5-20(19)27-3/h4-7,9-10,13-14,22H,8,11-12H2,1-3H3
InChIKeyRCWBQKDOFODQCC-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.28
Rot. Bonds8

About N-[[1-[[5-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[1-[[5-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 146103977) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[[1-[[5-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[[5-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID146103977
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC NameN-[[1-[[5-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(F)cc1-c1cncc(Cn2cc(CNCC(C)C)nn2)c1
InChIInChI=1S/C20H24FN5O/c1-14(2)8-22-11-18-13-26(25-24-18)12-15-6-16(10-23-9-15)19-7-17(21)4-5-20(19)27-3/h4-7,9-10,13-14,22H,8,11-12H2,1-3H3
InChIKeyRCWBQKDOFODQCC-UHFFFAOYSA-N
XLogP3.28
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[[5-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[[1-[(5-bromo-2-methoxyphenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66191907
2-methyl-N-[[1-[(3-nitrophenyl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66192281
N-[[1-[2-(2-fluorophenoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62454402
[1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]methanamine
CID 55029615
N-[[6-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66451593
methyl 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetate
CID 115876973
1-[1-[(3-bromo-4-methoxyphenyl)methyl]triazol-4-yl]-N-methylmethanamine
CID 66193483
N-[[1-[(5-fluoro-2-methylphenyl)methyl]triazol-4-yl]methyl]ethanamine
CID 105374772
N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66191718
2-methyl-N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66193441
N-[[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 104813415
1-cyclopropyl-N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]methanamine
CID 72943649

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[5-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[[5-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine (CID 146103977) is N-[[1-[[5-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[[5-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[[5-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine is COc1ccc(F)cc1-c1cncc(Cn2cc(CNCC(C)C)nn2)c1.
What is the InChIKey of N-[[1-[[5-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is RCWBQKDOFODQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-14(2)8-22-11-18-13-26(25-24-18)12-15-6-16(10-23-9-15)19-7-17(21)4-5-20(19)27-3/h4-7,9-10,13-14,22H,8,11-12H2,1-3H3.
What are the key properties of N-[[1-[[5-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[[5-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 369.44 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[5-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 146103977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).