[5-(5-fluoro-2-methylphenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine

C13H17FN4O — CID 112592799

IUPAC[5-(5-fluoro-2-methylphenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine
SMILESCOCCn1c(CN)nnc1-c1cc(F)ccc1C
InChIInChI=1S/C13H17FN4O/c1-9-3-4-10(14)7-11(9)13-17-16-12(8-15)18(13)5-6-19-2/h3-4,7H,5-6,8,15H2,1-2H3
InChIKeyOGFRVQPXYFRQHA-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.50
Rot. Bonds5

About [5-(5-fluoro-2-methylphenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine

[5-(5-fluoro-2-methylphenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 112592799) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is [5-(5-fluoro-2-methylphenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(5-fluoro-2-methylphenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID112592799
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name[5-(5-fluoro-2-methylphenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine
SMILESCOCCn1c(CN)nnc1-c1cc(F)ccc1C
InChIInChI=1S/C13H17FN4O/c1-9-3-4-10(14)7-11(9)13-17-16-12(8-15)18(13)5-6-19-2/h3-4,7H,5-6,8,15H2,1-2H3
InChIKeyOGFRVQPXYFRQHA-UHFFFAOYSA-N
XLogP1.50
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-(4-Tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 151608461
4-{[5-(2-fluorophenyl)-2H-tetrazol-2-yl]methyl}-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 1258305
N-((5-(3,5-difluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)methyl)cyclopentanamine
CID 45273672
4-[4-[5-[4-(1-carbamimidoyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 162674860
4-{[5-(4-fluorophenyl)-2H-tetrazol-2-yl]methyl}-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 1256979
4-[3-[2-[(4-Fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]morpholine
CID 72915062
1-ethyl-N,N-dimethyl-3-[2-(morpholin-4-ylmethyl)phenyl]-1H-1,2,4-triazol-5-amine
CID 72920944
2-[[7-[(4-fluorophenyl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methoxy]-N,N-dimethylethanamine
CID 97381525
3-(4-Fluorophenyl)-N~11~-(3-methoxypropyl)-5,6,7,8,9,10,12,13-octahydro-11H-[1,2,4]triazolo[4,3-A][1,5]diazacycloundecine-11-carboxamide
CID 110201176
14-(4-fluorophenyl)-N-methyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene-8-carboxamide
CID 110201178
Methyl 2-[[14-(4-fluorophenyl)-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene-8-carbonyl]amino]acetate
CID 110201179
2-[2-[3-(2-Methylphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-4-yl]ethylamino]ethanol
CID 172435502

Frequently Asked Questions

What is the IUPAC name of [5-(5-fluoro-2-methylphenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(5-fluoro-2-methylphenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine (CID 112592799) is [5-(5-fluoro-2-methylphenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(5-fluoro-2-methylphenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(5-fluoro-2-methylphenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine is COCCn1c(CN)nnc1-c1cc(F)ccc1C.
What is the InChIKey of [5-(5-fluoro-2-methylphenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is OGFRVQPXYFRQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-9-3-4-10(14)7-11(9)13-17-16-12(8-15)18(13)5-6-19-2/h3-4,7H,5-6,8,15H2,1-2H3.
What are the key properties of [5-(5-fluoro-2-methylphenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine?
[5-(5-fluoro-2-methylphenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 264.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-fluoro-2-methylphenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112592799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).