[1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]methanamine

C11H13FN4O — CID 55029615

IUPAC[1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]methanamine
SMILESCOc1ccc(F)cc1Cn1cc(CN)nn1
InChIInChI=1S/C11H13FN4O/c1-17-11-3-2-9(12)4-8(11)6-16-7-10(5-13)14-15-16/h2-4,7H,5-6,13H2,1H3
InChIKeyGQIDPOOUNUSYTH-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.93
Rot. Bonds4

About [1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]methanamine

[1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]methanamine (PubChem CID 55029615) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is [1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]methanamine
PubChem CID55029615
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name[1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]methanamine
SMILESCOc1ccc(F)cc1Cn1cc(CN)nn1
InChIInChI=1S/C11H13FN4O/c1-17-11-3-2-9(12)4-8(11)6-16-7-10(5-13)14-15-16/h2-4,7H,5-6,13H2,1H3
InChIKeyGQIDPOOUNUSYTH-UHFFFAOYSA-N
XLogP0.93
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
[1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]methanamine
CID 65326569
4-(2-bromoethyl)-1-[(2-methoxy-5-methylphenyl)methyl]triazole
CID 62396004
[1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methanol
CID 62399428
4-(chloromethyl)-1-[(2,5-difluorophenyl)methyl]triazole
CID 62400645
N-[[1-[(5-bromo-2-methoxyphenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66191907
2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]triazol-4-yl]ethanamine
CID 116641699
(2S)-7-[2-[1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]ethyl]-1,2,5-trimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 159357668
N-[[1-[(5-bromo-2-methoxyphenyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 66191814
[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]triazol-4-yl]methanamine
CID 115458013
4-[1-[(2-bromo-5-fluorophenyl)methyl]triazol-4-yl]butan-1-amine
CID 104539082
[1-[(2-chloro-5-fluorophenyl)methyl]triazol-4-yl]methanol
CID 102619773

Frequently Asked Questions

What is the IUPAC name of [1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]methanamine (CID 55029615) is [1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]methanamine is COc1ccc(F)cc1Cn1cc(CN)nn1.
What is the InChIKey of [1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]methanamine?
The InChIKey is GQIDPOOUNUSYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-17-11-3-2-9(12)4-8(11)6-16-7-10(5-13)14-15-16/h2-4,7H,5-6,13H2,1H3.
What are the key properties of [1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]methanamine?
[1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]methanamine has a molecular weight of 236.25 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 55029615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).