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

C12H23FN4O — CID 103392484

IUPAC4-fluoro-4-(methoxymethyl)-5-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)Cc1ncnn1C(C)C
InChIInChI=1S/C12H23FN4O/c1-10(2)17-11(15-9-16-17)7-12(13,8-18-3)5-4-6-14/h9-10H,4-8,14H2,1-3H3
InChIKeyYFFWKSZVXPTKIE-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.50
Rot. Bonds8

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

4-fluoro-4-(methoxymethyl)-5-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine (PubChem CID 103392484) has the molecular formula C12H23FN4O and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)-5-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)-5-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine
PubChem CID103392484
Molecular FormulaC12H23FN4O
Molecular Weight258.34 g/mol
Exact Mass258.19
IUPAC Name4-fluoro-4-(methoxymethyl)-5-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)Cc1ncnn1C(C)C
InChIInChI=1S/C12H23FN4O/c1-10(2)17-11(15-9-16-17)7-12(13,8-18-3)5-4-6-14/h9-10H,4-8,14H2,1-3H3
InChIKeyYFFWKSZVXPTKIE-UHFFFAOYSA-N
XLogP1.50
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.50
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-Propan-2-yl-1,2,4-triazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148048
1-[2-(2-Methylpropyl)-1,2,4-triazol-3-yl]-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148052
1-(2-Propyl-1,2,4-triazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148096
1-(2-Methyl-1,2,4-triazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148197
N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148316
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148322
1-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148327
N-methyl-1-(2-propyl-1,2,4-triazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148362
N-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148453
N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148546
N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148554

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)-5-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)-5-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine (CID 103392484) is 4-fluoro-4-(methoxymethyl)-5-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)-5-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)-5-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine is COCC(F)(CCCN)Cc1ncnn1C(C)C.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)-5-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine?
The InChIKey is YFFWKSZVXPTKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN4O/c1-10(2)17-11(15-9-16-17)7-12(13,8-18-3)5-4-6-14/h9-10H,4-8,14H2,1-3H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)-5-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine?
4-fluoro-4-(methoxymethyl)-5-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine has a molecular weight of 258.34 g/mol, XLogP of 1.50, 8 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-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine is sourced from PubChem (CID 103392484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).