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

C11H16N4O2 — CID 55202867

IUPAC1-(furan-2-yl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
SMILESCn1cnnc1CCNCC(O)c1ccco1
InChIInChI=1S/C11H16N4O2/c1-15-8-13-14-11(15)4-5-12-7-9(16)10-3-2-6-17-10/h2-3,6,8-9,12,16H,4-5,7H2,1H3
InChIKeyQVPAWDHWWDAZGC-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.27
Rot. Bonds6

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

1-(furan-2-yl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol (PubChem CID 55202867) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
PubChem CID55202867
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name1-(furan-2-yl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
SMILESCn1cnnc1CCNCC(O)c1ccco1
InChIInChI=1S/C11H16N4O2/c1-15-8-13-14-11(15)4-5-12-7-9(16)10-3-2-6-17-10/h2-3,6,8-9,12,16H,4-5,7H2,1H3
InChIKeyQVPAWDHWWDAZGC-UHFFFAOYSA-N
XLogP0.27
TPSA76.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol?
The IUPAC name of 1-(furan-2-yl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol (CID 55202867) is 1-(furan-2-yl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol.
What is the SMILES notation for 1-(furan-2-yl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol?
The canonical SMILES for 1-(furan-2-yl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol is Cn1cnnc1CCNCC(O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol?
The InChIKey is QVPAWDHWWDAZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-15-8-13-14-11(15)4-5-12-7-9(16)10-3-2-6-17-10/h2-3,6,8-9,12,16H,4-5,7H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol?
1-(furan-2-yl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol has a molecular weight of 236.28 g/mol, XLogP of 0.27, 6 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-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol is sourced from PubChem (CID 55202867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).