4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine

C10H19FN4O — CID 103392373

IUPAC4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)Cc1ncnn1C
InChIInChI=1S/C10H19FN4O/c1-15-9(13-8-14-15)6-10(11,7-16-2)4-3-5-12/h8H,3-7,12H2,1-2H3
InChIKeyOHDDDAHTTNJMAN-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.45
Rot. Bonds7

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

4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine (PubChem CID 103392373) has the molecular formula C10H19FN4O and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine
PubChem CID103392373
Molecular FormulaC10H19FN4O
Molecular Weight230.29 g/mol
Exact Mass230.15
IUPAC Name4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)Cc1ncnn1C
InChIInChI=1S/C10H19FN4O/c1-15-9(13-8-14-15)6-10(11,7-16-2)4-3-5-12/h8H,3-7,12H2,1-2H3
InChIKeyOHDDDAHTTNJMAN-UHFFFAOYSA-N
XLogP0.45
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.45
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
4-(2,2-Difluoroethoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 103149105
4-Fluoro-4-(methoxymethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine
CID 103392382
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
3-Fluoro-4-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-2-propan-2-ylbutan-1-amine
CID 107443796
2-Fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine
CID 112567719
2-[(2-Ethyl-1,2,4-triazol-3-yl)methyl]-2-fluoropentan-1-amine
CID 112567829
2-Fluoro-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine
CID 112567896

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine (CID 103392373) is 4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine is COCC(F)(CCCN)Cc1ncnn1C.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine?
The InChIKey is OHDDDAHTTNJMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN4O/c1-15-9(13-8-14-15)6-10(11,7-16-2)4-3-5-12/h8H,3-7,12H2,1-2H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine?
4-fluoro-4-(methoxymethyl)-5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine has a molecular weight of 230.29 g/mol, XLogP of 0.45, 7 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-methyl-1,2,4-triazol-3-yl)pentan-1-amine is sourced from PubChem (CID 103392373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).