1-(2-ethyl-1-benzofuran-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine

C19H17F3N4O — CID 86776543

IUPAC1-(2-ethyl-1-benzofuran-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
SMILESCCc1oc2ccccc2c1CNCc1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C19H17F3N4O/c1-2-15-14(13-5-3-4-6-16(13)27-15)9-23-10-18-25-24-17-8-7-12(11-26(17)18)19(20,21)22/h3-8,11,23H,2,9-10H2,1H3
InChIKeyXCAFDAMVRJKJSI-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.35
Rot. Bonds5

About 1-(2-ethyl-1-benzofuran-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine

1-(2-ethyl-1-benzofuran-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine (PubChem CID 86776543) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 1-(2-ethyl-1-benzofuran-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2-ethyl-1-benzofuran-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
PubChem CID86776543
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name1-(2-ethyl-1-benzofuran-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
SMILESCCc1oc2ccccc2c1CNCc1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C19H17F3N4O/c1-2-15-14(13-5-3-4-6-16(13)27-15)9-23-10-18-25-24-17-8-7-12(11-26(17)18)19(20,21)22/h3-8,11,23H,2,9-10H2,1H3
InChIKeyXCAFDAMVRJKJSI-UHFFFAOYSA-N
XLogP4.35
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 43655456
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63332180
N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 18100245
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882297
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 79492984
N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
CID 60888739
N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
CID 43226064
N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-indazole-3-carboxamide
CID 18126415
2-(4-phenylphenyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 24523382
1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol
CID 43226104
3-(3-phenylpropyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 142870006
N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18122095

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1-benzofuran-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine?
The IUPAC name of 1-(2-ethyl-1-benzofuran-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine (CID 86776543) is 1-(2-ethyl-1-benzofuran-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine.
What is the SMILES notation for 1-(2-ethyl-1-benzofuran-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine?
The canonical SMILES for 1-(2-ethyl-1-benzofuran-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine is CCc1oc2ccccc2c1CNCc1nnc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 1-(2-ethyl-1-benzofuran-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine?
The InChIKey is XCAFDAMVRJKJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-2-15-14(13-5-3-4-6-16(13)27-15)9-23-10-18-25-24-17-8-7-12(11-26(17)18)19(20,21)22/h3-8,11,23H,2,9-10H2,1H3.
What are the key properties of 1-(2-ethyl-1-benzofuran-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine?
1-(2-ethyl-1-benzofuran-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine has a molecular weight of 374.37 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1-benzofuran-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine is sourced from PubChem (CID 86776543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).