2-[2-[3-(1-aminoethyl)-1,2,4-triazol-1-yl]ethoxy]ethanol

C8H16N4O2 — CID 105359678

IUPAC2-[2-[3-(1-aminoethyl)-1,2,4-triazol-1-yl]ethoxy]ethanol
SMILESCC(N)c1ncn(CCOCCO)n1
InChIInChI=1S/C8H16N4O2/c1-7(9)8-10-6-12(11-8)2-4-14-5-3-13/h6-7,13H,2-5,9H2,1H3
InChIKeyCZHJNDVSCJWLQR-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.69
Rot. Bonds6

About 2-[2-[3-(1-aminoethyl)-1,2,4-triazol-1-yl]ethoxy]ethanol

2-[2-[3-(1-aminoethyl)-1,2,4-triazol-1-yl]ethoxy]ethanol (PubChem CID 105359678) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[2-[3-(1-aminoethyl)-1,2,4-triazol-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[3-(1-aminoethyl)-1,2,4-triazol-1-yl]ethoxy]ethanol
PubChem CID105359678
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name2-[2-[3-(1-aminoethyl)-1,2,4-triazol-1-yl]ethoxy]ethanol
SMILESCC(N)c1ncn(CCOCCO)n1
InChIInChI=1S/C8H16N4O2/c1-7(9)8-10-6-12(11-8)2-4-14-5-3-13/h6-7,13H,2-5,9H2,1H3
InChIKeyCZHJNDVSCJWLQR-UHFFFAOYSA-N
XLogP-0.69
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(1-aminoethyl)-1,2,4-triazol-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[3-(1-aminoethyl)-1,2,4-triazol-1-yl]ethoxy]ethanol (CID 105359678) is 2-[2-[3-(1-aminoethyl)-1,2,4-triazol-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[3-(1-aminoethyl)-1,2,4-triazol-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[3-(1-aminoethyl)-1,2,4-triazol-1-yl]ethoxy]ethanol is CC(N)c1ncn(CCOCCO)n1.
What is the InChIKey of 2-[2-[3-(1-aminoethyl)-1,2,4-triazol-1-yl]ethoxy]ethanol?
The InChIKey is CZHJNDVSCJWLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-7(9)8-10-6-12(11-8)2-4-14-5-3-13/h6-7,13H,2-5,9H2,1H3.
What are the key properties of 2-[2-[3-(1-aminoethyl)-1,2,4-triazol-1-yl]ethoxy]ethanol?
2-[2-[3-(1-aminoethyl)-1,2,4-triazol-1-yl]ethoxy]ethanol has a molecular weight of 200.24 g/mol, XLogP of -0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(1-aminoethyl)-1,2,4-triazol-1-yl]ethoxy]ethanol is sourced from PubChem (CID 105359678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).