4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine

C11H21FN4O — CID 103392498

IUPAC4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
SMILESCCn1ncnc1CC(F)(CCCN)COC
InChIInChI=1S/C11H21FN4O/c1-3-16-10(14-9-15-16)7-11(12,8-17-2)5-4-6-13/h9H,3-8,13H2,1-2H3
InChIKeyOPCKHPASXMINGG-UHFFFAOYSA-N
MW244.31 g/mol
LogP0.93
Rot. Bonds8

About 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine

4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine (PubChem CID 103392498) has the molecular formula C11H21FN4O and a molecular weight of 244.31 g/mol. Its IUPAC name is 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
PubChem CID103392498
Molecular FormulaC11H21FN4O
Molecular Weight244.31 g/mol
Exact Mass244.17
IUPAC Name4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
SMILESCCn1ncnc1CC(F)(CCCN)COC
InChIInChI=1S/C11H21FN4O/c1-3-16-10(14-9-15-16)7-11(12,8-17-2)5-4-6-13/h9H,3-8,13H2,1-2H3
InChIKeyOPCKHPASXMINGG-UHFFFAOYSA-N
XLogP0.93
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-(2,2-Difluoroethoxy)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
CID 103148925
4-(2,2-Difluoroethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
CID 103148931
4-(2,2-Difluoroethoxy)-1-(2-ethyl-1,2,4-triazol-3-yl)butan-2-amine
CID 103148935
4-Fluoro-4-(methoxymethyl)-5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 103392373
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-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-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine (CID 103392498) is 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine is CCn1ncnc1CC(F)(CCCN)COC.
What is the InChIKey of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is OPCKHPASXMINGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN4O/c1-3-16-10(14-9-15-16)7-11(12,8-17-2)5-4-6-13/h9H,3-8,13H2,1-2H3.
What are the key properties of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 244.31 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 103392498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).