1-(furan-2-yl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol

C11H16N4O2 — CID 62118285

IUPAC1-(furan-2-yl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
SMILESCC(NCC(O)c1ccco1)c1nncn1C
InChIInChI=1S/C11H16N4O2/c1-8(11-14-13-7-15(11)2)12-6-9(16)10-4-3-5-17-10/h3-5,7-9,12,16H,6H2,1-2H3
InChIKeyLYFZDTOPLMIJOH-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.79
Rot. Bonds5

About 1-(furan-2-yl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol

1-(furan-2-yl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol (PubChem CID 62118285) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
PubChem CID62118285
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name1-(furan-2-yl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
SMILESCC(NCC(O)c1ccco1)c1nncn1C
InChIInChI=1S/C11H16N4O2/c1-8(11-14-13-7-15(11)2)12-6-9(16)10-4-3-5-17-10/h3-5,7-9,12,16H,6H2,1-2H3
InChIKeyLYFZDTOPLMIJOH-UHFFFAOYSA-N
XLogP0.79
TPSA76.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol?
The IUPAC name of 1-(furan-2-yl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol (CID 62118285) is 1-(furan-2-yl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol.
What is the SMILES notation for 1-(furan-2-yl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol?
The canonical SMILES for 1-(furan-2-yl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol is CC(NCC(O)c1ccco1)c1nncn1C.
What is the InChIKey of 1-(furan-2-yl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol?
The InChIKey is LYFZDTOPLMIJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8(11-14-13-7-15(11)2)12-6-9(16)10-4-3-5-17-10/h3-5,7-9,12,16H,6H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol?
1-(furan-2-yl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol has a molecular weight of 236.28 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol is sourced from PubChem (CID 62118285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).