1-[5-ethyl-1-(5-fluoro-2-methylphenyl)triazol-4-yl]-N-methylpropan-1-amine

C15H21FN4 — CID 107431522

IUPAC1-[5-ethyl-1-(5-fluoro-2-methylphenyl)triazol-4-yl]-N-methylpropan-1-amine
SMILESCCc1c(C(CC)NC)nnn1-c1cc(F)ccc1C
InChIInChI=1S/C15H21FN4/c1-5-12(17-4)15-13(6-2)20(19-18-15)14-9-11(16)8-7-10(14)3/h7-9,12,17H,5-6H2,1-4H3
InChIKeyBRQWCNKXQBPZFN-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.95
Rot. Bonds5

About 1-[5-ethyl-1-(5-fluoro-2-methylphenyl)triazol-4-yl]-N-methylpropan-1-amine

1-[5-ethyl-1-(5-fluoro-2-methylphenyl)triazol-4-yl]-N-methylpropan-1-amine (PubChem CID 107431522) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-[5-ethyl-1-(5-fluoro-2-methylphenyl)triazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-ethyl-1-(5-fluoro-2-methylphenyl)triazol-4-yl]-N-methylpropan-1-amine
PubChem CID107431522
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC Name1-[5-ethyl-1-(5-fluoro-2-methylphenyl)triazol-4-yl]-N-methylpropan-1-amine
SMILESCCc1c(C(CC)NC)nnn1-c1cc(F)ccc1C
InChIInChI=1S/C15H21FN4/c1-5-12(17-4)15-13(6-2)20(19-18-15)14-9-11(16)8-7-10(14)3/h7-9,12,17H,5-6H2,1-4H3
InChIKeyBRQWCNKXQBPZFN-UHFFFAOYSA-N
XLogP2.95
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[5-ethyl-1-(4-fluoro-2-methylphenyl)triazol-4-yl]propan-1-amine
CID 107431534
1-[1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107530955
1-[1-(2-bromo-5-methylphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431748
1-[1-(3,4-difluorophenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431541
1-[1-(2,4-dibromophenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431655
1-[1-(3-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431788
1-[5-ethyl-1-(3-fluorophenyl)triazol-4-yl]-N-propylpropan-1-amine
CID 107431483
1-(5-ethyl-1-pyrimidin-5-yltriazol-4-yl)-N-methylpropan-1-amine
CID 107589592
1-[5-ethyl-1-(2,3,5-trifluorophenyl)triazol-4-yl]propan-1-amine
CID 107431682
1-[1-(4-chloro-3-methoxyphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107622879
1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103084941
1-[1-(5-bromo-4-fluoro-2-methylphenyl)-5-ethyltriazol-4-yl]propan-1-amine
CID 107593569

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-1-(5-fluoro-2-methylphenyl)triazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[5-ethyl-1-(5-fluoro-2-methylphenyl)triazol-4-yl]-N-methylpropan-1-amine (CID 107431522) is 1-[5-ethyl-1-(5-fluoro-2-methylphenyl)triazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[5-ethyl-1-(5-fluoro-2-methylphenyl)triazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[5-ethyl-1-(5-fluoro-2-methylphenyl)triazol-4-yl]-N-methylpropan-1-amine is CCc1c(C(CC)NC)nnn1-c1cc(F)ccc1C.
What is the InChIKey of 1-[5-ethyl-1-(5-fluoro-2-methylphenyl)triazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is BRQWCNKXQBPZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c1-5-12(17-4)15-13(6-2)20(19-18-15)14-9-11(16)8-7-10(14)3/h7-9,12,17H,5-6H2,1-4H3.
What are the key properties of 1-[5-ethyl-1-(5-fluoro-2-methylphenyl)triazol-4-yl]-N-methylpropan-1-amine?
1-[5-ethyl-1-(5-fluoro-2-methylphenyl)triazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 276.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-1-(5-fluoro-2-methylphenyl)triazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 107431522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).