1-[1-(1H-1,2,4-triazol-5-yl)ethylamino]ethanol

C6H12N4O — CID 57156444

IUPAC1-[1-(1H-1,2,4-triazol-5-yl)ethylamino]ethanol
SMILESCC(O)NC(C)c1ncn[nH]1
InChIInChI=1S/C6H12N4O/c1-4(9-5(2)11)6-7-3-8-10-6/h3-5,9,11H,1-2H3,(H,7,8,10)
InChIKeyNDCJMULPCOLZCE-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.21
Rot. Bonds3

About 1-[1-(1H-1,2,4-triazol-5-yl)ethylamino]ethanol

1-[1-(1H-1,2,4-triazol-5-yl)ethylamino]ethanol (PubChem CID 57156444) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-[1-(1H-1,2,4-triazol-5-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-[1-(1H-1,2,4-triazol-5-yl)ethylamino]ethanol
PubChem CID57156444
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name1-[1-(1H-1,2,4-triazol-5-yl)ethylamino]ethanol
SMILESCC(O)NC(C)c1ncn[nH]1
InChIInChI=1S/C6H12N4O/c1-4(9-5(2)11)6-7-3-8-10-6/h3-5,9,11H,1-2H3,(H,7,8,10)
InChIKeyNDCJMULPCOLZCE-UHFFFAOYSA-N
XLogP-0.21
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-1,2,4-triazol-5-yl)ethylamino]ethanol?
The IUPAC name of 1-[1-(1H-1,2,4-triazol-5-yl)ethylamino]ethanol (CID 57156444) is 1-[1-(1H-1,2,4-triazol-5-yl)ethylamino]ethanol.
What is the SMILES notation for 1-[1-(1H-1,2,4-triazol-5-yl)ethylamino]ethanol?
The canonical SMILES for 1-[1-(1H-1,2,4-triazol-5-yl)ethylamino]ethanol is CC(O)NC(C)c1ncn[nH]1.
What is the InChIKey of 1-[1-(1H-1,2,4-triazol-5-yl)ethylamino]ethanol?
The InChIKey is NDCJMULPCOLZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-4(9-5(2)11)6-7-3-8-10-6/h3-5,9,11H,1-2H3,(H,7,8,10).
What are the key properties of 1-[1-(1H-1,2,4-triazol-5-yl)ethylamino]ethanol?
1-[1-(1H-1,2,4-triazol-5-yl)ethylamino]ethanol has a molecular weight of 156.19 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-1,2,4-triazol-5-yl)ethylamino]ethanol is sourced from PubChem (CID 57156444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).