2-(1H-1,2,4-triazol-5-ylamino)ethanol

C4H8N4O — CID 66490785

IUPAC2-(1H-1,2,4-triazol-5-ylamino)ethanol
SMILESOCCNc1ncn[nH]1
InChIInChI=1S/C4H8N4O/c9-2-1-5-4-6-3-7-8-4/h3,9H,1-2H2,(H2,5,6,7,8)
InChIKeyUZXIIOSJXBPLAR-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.79
Rot. Bonds3

About 2-(1H-1,2,4-triazol-5-ylamino)ethanol

2-(1H-1,2,4-triazol-5-ylamino)ethanol (PubChem CID 66490785) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-ylamino)ethanol.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-ylamino)ethanol
PubChem CID66490785
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name2-(1H-1,2,4-triazol-5-ylamino)ethanol
SMILESOCCNc1ncn[nH]1
InChIInChI=1S/C4H8N4O/c9-2-1-5-4-6-3-7-8-4/h3,9H,1-2H2,(H2,5,6,7,8)
InChIKeyUZXIIOSJXBPLAR-UHFFFAOYSA-N
XLogP-0.79
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-ylamino)ethanol?
The IUPAC name of 2-(1H-1,2,4-triazol-5-ylamino)ethanol (CID 66490785) is 2-(1H-1,2,4-triazol-5-ylamino)ethanol.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-ylamino)ethanol?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-ylamino)ethanol is OCCNc1ncn[nH]1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-ylamino)ethanol?
The InChIKey is UZXIIOSJXBPLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c9-2-1-5-4-6-3-7-8-4/h3,9H,1-2H2,(H2,5,6,7,8).
What are the key properties of 2-(1H-1,2,4-triazol-5-ylamino)ethanol?
2-(1H-1,2,4-triazol-5-ylamino)ethanol has a molecular weight of 128.13 g/mol, XLogP of -0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-ylamino)ethanol is sourced from PubChem (CID 66490785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).