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

C6H12N4O — CID 150973051

IUPAC2-[5-(2-aminoethyl)-1,2,4-triazol-1-yl]ethanol
SMILESNCCc1ncnn1CCO
InChIInChI=1S/C6H12N4O/c7-2-1-6-8-5-9-10(6)3-4-11/h5,11H,1-4,7H2
InChIKeyLONDKALMZCZRMW-UHFFFAOYSA-N
MW156.19 g/mol
LogP-1.23
Rot. Bonds4

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

2-[5-(2-aminoethyl)-1,2,4-triazol-1-yl]ethanol (PubChem CID 150973051) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-[5-(2-aminoethyl)-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(2-aminoethyl)-1,2,4-triazol-1-yl]ethanol
PubChem CID150973051
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name2-[5-(2-aminoethyl)-1,2,4-triazol-1-yl]ethanol
SMILESNCCc1ncnn1CCO
InChIInChI=1S/C6H12N4O/c7-2-1-6-8-5-9-10(6)3-4-11/h5,11H,1-4,7H2
InChIKeyLONDKALMZCZRMW-UHFFFAOYSA-N
XLogP-1.23
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethyl-1H-1,2,4-triazol-5-yl)methanol
CID 11412385
1-(1-Methylethyl)-1H-1,2,4-triazole-5-methanol
CID 13624273
4-Propyl-4H-1,2,4-triazole-3-methanol
CID 22938629
1-(1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol
CID 89881889
2-[3-(3-Fluoropropyl)-1,2,4-triazol-1-yl]ethanol
CID 123826455
3-[3-(Aminomethyl)-1,2,4-triazol-1-yl]-1,1,1-trifluoropropan-2-ol
CID 63899471
1,1,1-Trifluoro-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63899846
[2-(3,3,3-Trifluoropropyl)-1,2,4-triazol-3-yl]methanol
CID 65648295
1,1,1-Trifluoro-3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 80681844
2-(1-methyl-1,2,4-triazol-3-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 80682491
[2-(3-Fluoropropyl)-1,2,4-triazol-3-yl]methanol
CID 81114047
3-[(2-Ethyl-1,2,4-triazol-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 105644758

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminoethyl)-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[5-(2-aminoethyl)-1,2,4-triazol-1-yl]ethanol (CID 150973051) is 2-[5-(2-aminoethyl)-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(2-aminoethyl)-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(2-aminoethyl)-1,2,4-triazol-1-yl]ethanol is NCCc1ncnn1CCO.
What is the InChIKey of 2-[5-(2-aminoethyl)-1,2,4-triazol-1-yl]ethanol?
The InChIKey is LONDKALMZCZRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c7-2-1-6-8-5-9-10(6)3-4-11/h5,11H,1-4,7H2.
What are the key properties of 2-[5-(2-aminoethyl)-1,2,4-triazol-1-yl]ethanol?
2-[5-(2-aminoethyl)-1,2,4-triazol-1-yl]ethanol has a molecular weight of 156.19 g/mol, XLogP of -1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminoethyl)-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 150973051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).