1-(furan-2-yl)-N-[[(8S)-8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine

C13H15F3N4O — CID 97078844

IUPAC1-(furan-2-yl)-N-[[(8S)-8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
SMILESFC(F)(F)[C@H]1CCCn2c(CNCc3ccco3)nnc21
InChIInChI=1S/C13H15F3N4O/c14-13(15,16)10-4-1-5-20-11(18-19-12(10)20)8-17-7-9-3-2-6-21-9/h2-3,6,10,17H,1,4-5,7-8H2/t10-/m0/s1
InChIKeyOTLQBRQIAFDYBD-JTQLQIEISA-N
MW300.28 g/mol
LogP2.60
Rot. Bonds4

About 1-(furan-2-yl)-N-[[(8S)-8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine

1-(furan-2-yl)-N-[[(8S)-8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine (PubChem CID 97078844) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[[(8S)-8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[[(8S)-8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
PubChem CID97078844
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC Name1-(furan-2-yl)-N-[[(8S)-8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
SMILESFC(F)(F)[C@H]1CCCn2c(CNCc3ccco3)nnc21
InChIInChI=1S/C13H15F3N4O/c14-13(15,16)10-4-1-5-20-11(18-19-12(10)20)8-17-7-9-3-2-6-21-9/h2-3,6,10,17H,1,4-5,7-8H2/t10-/m0/s1
InChIKeyOTLQBRQIAFDYBD-JTQLQIEISA-N
XLogP2.60
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(furan-2-yl)-N-[[(8S)-8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine with MolForge

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Related Compounds

1-(1-cyclopropylpyrrol-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 46784886
(2S)-4-(furan-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine
CID 99777622
N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-1-(furan-2-yl)methanamine
CID 146137708
N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43754956
N-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62557113
N-(furan-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine
CID 107178330
1-[3-[(furan-2-ylmethylamino)methyl]-2-pyridinyl]piperidin-3-ol
CID 45229309
2-(4-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 62556363
(2R)-N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxamide
CID 125142082
N-(furan-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 86930900
(2S)-N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 32877863
1-(1-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 115621753

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[[(8S)-8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine?
The IUPAC name of 1-(furan-2-yl)-N-[[(8S)-8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine (CID 97078844) is 1-(furan-2-yl)-N-[[(8S)-8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[[(8S)-8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[[(8S)-8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine is FC(F)(F)[C@H]1CCCn2c(CNCc3ccco3)nnc21.
What is the InChIKey of 1-(furan-2-yl)-N-[[(8S)-8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine?
The InChIKey is OTLQBRQIAFDYBD-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15F3N4O/c14-13(15,16)10-4-1-5-20-11(18-19-12(10)20)8-17-7-9-3-2-6-21-9/h2-3,6,10,17H,1,4-5,7-8H2/t10-/m0/s1.
What are the key properties of 1-(furan-2-yl)-N-[[(8S)-8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine?
1-(furan-2-yl)-N-[[(8S)-8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine has a molecular weight of 300.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[[(8S)-8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine is sourced from PubChem (CID 97078844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).