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

C6H12N4O2 — CID 61070904

IUPAC2-[2-(3-amino-1,2,4-triazol-1-yl)ethoxy]ethanol
SMILESNc1ncn(CCOCCO)n1
InChIInChI=1S/C6H12N4O2/c7-6-8-5-10(9-6)1-3-12-4-2-11/h5,11H,1-4H2,(H2,7,9)
InChIKeySUPDQGFMKOTBIC-UHFFFAOYSA-N
MW172.19 g/mol
LogP-1.13
Rot. Bonds5

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

2-[2-(3-amino-1,2,4-triazol-1-yl)ethoxy]ethanol (PubChem CID 61070904) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-[2-(3-amino-1,2,4-triazol-1-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(3-amino-1,2,4-triazol-1-yl)ethoxy]ethanol
PubChem CID61070904
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name2-[2-(3-amino-1,2,4-triazol-1-yl)ethoxy]ethanol
SMILESNc1ncn(CCOCCO)n1
InChIInChI=1S/C6H12N4O2/c7-6-8-5-10(9-6)1-3-12-4-2-11/h5,11H,1-4H2,(H2,7,9)
InChIKeySUPDQGFMKOTBIC-UHFFFAOYSA-N
XLogP-1.13
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-1.13
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-amino-1,2,4-triazol-1-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(3-amino-1,2,4-triazol-1-yl)ethoxy]ethanol (CID 61070904) is 2-[2-(3-amino-1,2,4-triazol-1-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(3-amino-1,2,4-triazol-1-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(3-amino-1,2,4-triazol-1-yl)ethoxy]ethanol is Nc1ncn(CCOCCO)n1.
What is the InChIKey of 2-[2-(3-amino-1,2,4-triazol-1-yl)ethoxy]ethanol?
The InChIKey is SUPDQGFMKOTBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2/c7-6-8-5-10(9-6)1-3-12-4-2-11/h5,11H,1-4H2,(H2,7,9).
What are the key properties of 2-[2-(3-amino-1,2,4-triazol-1-yl)ethoxy]ethanol?
2-[2-(3-amino-1,2,4-triazol-1-yl)ethoxy]ethanol has a molecular weight of 172.19 g/mol, XLogP of -1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-amino-1,2,4-triazol-1-yl)ethoxy]ethanol is sourced from PubChem (CID 61070904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).