4-fluoro-4-(methoxymethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine

C13H25FN4O — CID 103392382

IUPAC4-fluoro-4-(methoxymethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine
SMILESCOCC(F)(CCCN)Cc1ncnn1CC(C)C
InChIInChI=1S/C13H25FN4O/c1-11(2)8-18-12(16-10-17-18)7-13(14,9-19-3)5-4-6-15/h10-11H,4-9,15H2,1-3H3
InChIKeyALRBAFWEPYXEEJ-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.57
Rot. Bonds9

About 4-fluoro-4-(methoxymethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine

4-fluoro-4-(methoxymethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine (PubChem CID 103392382) has the molecular formula C13H25FN4O and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine
PubChem CID103392382
Molecular FormulaC13H25FN4O
Molecular Weight272.37 g/mol
Exact Mass272.20
IUPAC Name4-fluoro-4-(methoxymethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine
SMILESCOCC(F)(CCCN)Cc1ncnn1CC(C)C
InChIInChI=1S/C13H25FN4O/c1-11(2)8-18-12(16-10-17-18)7-13(14,9-19-3)5-4-6-15/h10-11H,4-9,15H2,1-3H3
InChIKeyALRBAFWEPYXEEJ-UHFFFAOYSA-N
XLogP1.57
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-1-[3-methyl-5-(trifluoromethoxy)hexan-2-yl]-1,2,4-triazole
CID 123330123
1-[2-(2-Methylpropyl)-1,2,4-triazol-3-yl]-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148052
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148322
4-(2,2-Difluoroethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
CID 103148931
4-(2,2-difluoroethoxy)-N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
CID 103149263
4-(2,2-difluoroethoxy)-N-ethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
CID 103149600
4-Fluoro-4-(methoxymethyl)-5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 103392373
4-Fluoro-4-(methoxymethyl)-5-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine
CID 103392484
4-[(2-Ethyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
CID 103392498
4-Fluoro-4-(methoxymethyl)-5-(2-propyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 103392564
4-(2-Ethyl-1,2,4-triazol-3-yl)-3-fluoro-2-propan-2-ylbutan-1-amine
CID 107443489
3-Fluoro-4-(2-methyl-1,2,4-triazol-3-yl)-2-propan-2-ylbutan-1-amine
CID 107443789

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine (CID 103392382) is 4-fluoro-4-(methoxymethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine is COCC(F)(CCCN)Cc1ncnn1CC(C)C.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine?
The InChIKey is ALRBAFWEPYXEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN4O/c1-11(2)8-18-12(16-10-17-18)7-13(14,9-19-3)5-4-6-15/h10-11H,4-9,15H2,1-3H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine?
4-fluoro-4-(methoxymethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine has a molecular weight of 272.37 g/mol, XLogP of 1.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine is sourced from PubChem (CID 103392382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).