[2-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine

C10H11FN4O — CID 169041735

IUPAC[2-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine
SMILESCOc1ccc(-n2ncnc2CN)cc1F
InChIInChI=1S/C10H11FN4O/c1-16-9-3-2-7(4-8(9)11)15-10(5-12)13-6-14-15/h2-4,6H,5,12H2,1H3
InChIKeyNGUFVFBGOLNOSJ-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.87
Rot. Bonds3

About [2-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine

[2-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 169041735) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is [2-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[2-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID169041735
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name[2-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine
SMILESCOc1ccc(-n2ncnc2CN)cc1F
InChIInChI=1S/C10H11FN4O/c1-16-9-3-2-7(4-8(9)11)15-10(5-12)13-6-14-15/h2-4,6H,5,12H2,1H3
InChIKeyNGUFVFBGOLNOSJ-UHFFFAOYSA-N
XLogP0.87
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)pyrazol-3-amine
CID 67052556
[2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 107447423
1-[[2-(3-fluoro-4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]methyl]-3-[(2-naphthalen-2-yl-1,2,4-triazol-3-yl)methyl]urea
CID 170231246
1-(3-fluoro-4-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999768
3-[1-(3-fluoro-4-methoxyphenyl)triazol-4-yl]propan-1-amine
CID 114159959
[2-(7-fluoroquinolin-3-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride
CID 174059011
1-(3-fluoro-4-methoxyphenyl)pyrazol-3-amine
CID 102942591
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997507
5-bromo-1-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-triazole
CID 83666011
[1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine
CID 62737585
1-(3-fluoro-4-methoxyphenyl)-5-(4-methylphenyl)triazole-4-carboxylic acid
CID 56768881
N-[[1-(3-fluoro-4-methoxyphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62737032

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine (CID 169041735) is [2-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [2-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [2-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine is COc1ccc(-n2ncnc2CN)cc1F.
What is the InChIKey of [2-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is NGUFVFBGOLNOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-16-9-3-2-7(4-8(9)11)15-10(5-12)13-6-14-15/h2-4,6H,5,12H2,1H3.
What are the key properties of [2-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine?
[2-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 222.22 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 169041735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).