5-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-amine

C12H15FN4O — CID 79542056

IUPAC5-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-amine
SMILESCCc1c(N)nnn1Cc1cc(F)ccc1OC
InChIInChI=1S/C12H15FN4O/c1-3-10-12(14)15-16-17(10)7-8-6-9(13)4-5-11(8)18-2/h4-6H,3,7,14H2,1-2H3
InChIKeyFCOUQHNWWWJIIM-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.62
Rot. Bonds4

About 5-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-amine

5-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-amine (PubChem CID 79542056) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 5-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-amine
PubChem CID79542056
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name5-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-amine
SMILESCCc1c(N)nnn1Cc1cc(F)ccc1OC
InChIInChI=1S/C12H15FN4O/c1-3-10-12(14)15-16-17(10)7-8-6-9(13)4-5-11(8)18-2/h4-6H,3,7,14H2,1-2H3
InChIKeyFCOUQHNWWWJIIM-UHFFFAOYSA-N
XLogP1.62
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-amine?
The IUPAC name of 5-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-amine (CID 79542056) is 5-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-amine.
What is the SMILES notation for 5-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-amine?
The canonical SMILES for 5-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-amine is CCc1c(N)nnn1Cc1cc(F)ccc1OC.
What is the InChIKey of 5-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-amine?
The InChIKey is FCOUQHNWWWJIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-3-10-12(14)15-16-17(10)7-8-6-9(13)4-5-11(8)18-2/h4-6H,3,7,14H2,1-2H3.
What are the key properties of 5-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-amine?
5-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-amine has a molecular weight of 250.28 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-amine is sourced from PubChem (CID 79542056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).