2-amino-1-(4-ethyl-1,2,4-triazol-3-yl)ethanol

C6H12N4O — CID 66166309

IUPAC2-amino-1-(4-ethyl-1,2,4-triazol-3-yl)ethanol
SMILESCCn1cnnc1C(O)CN
InChIInChI=1S/C6H12N4O/c1-2-10-4-8-9-6(10)5(11)3-7/h4-5,11H,2-3,7H2,1H3
InChIKeyDLWHHCBHWFLBFI-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.71
Rot. Bonds3

About 2-amino-1-(4-ethyl-1,2,4-triazol-3-yl)ethanol

2-amino-1-(4-ethyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 66166309) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-amino-1-(4-ethyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(4-ethyl-1,2,4-triazol-3-yl)ethanol
PubChem CID66166309
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name2-amino-1-(4-ethyl-1,2,4-triazol-3-yl)ethanol
SMILESCCn1cnnc1C(O)CN
InChIInChI=1S/C6H12N4O/c1-2-10-4-8-9-6(10)5(11)3-7/h4-5,11H,2-3,7H2,1H3
InChIKeyDLWHHCBHWFLBFI-UHFFFAOYSA-N
XLogP-0.71
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Propyl-4H-1,2,4-triazole-3-methanol
CID 22938629
1-(4-methyl-4H-1,2,4-triazol-3-yl)ethan-1-ol
CID 45085253
1-(1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol
CID 89881889
2-(4-methyl-4H-1,2,4-triazol-3-yl)morpholine dihydrochloride
CID 86811670
1-(4H-1,2,4-triazol-3-yl)ethan-1-ol hydrochloride
CID 126801829
(1R)-1-(1H-1,2,4-triazol-3-yl)ethan-1-ol hydrochloride
CID 155822124
2-Amino-2-(4-methyl-4H-1,2,4-triazol-3-yl)ethan-1-ol
CID 62691759
2-(4-ethyl-4H-1,2,4-triazol-3-yl)morpholine
CID 62692797
(1S)-1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol
CID 164920643
(1S)-1-[4-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol
CID 175493668
2-(4-methyl-4H-1,2,4-triazol-3-yl)morpholine
CID 62691768
1,1,1-Trifluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63899230

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-ethyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 2-amino-1-(4-ethyl-1,2,4-triazol-3-yl)ethanol (CID 66166309) is 2-amino-1-(4-ethyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 2-amino-1-(4-ethyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 2-amino-1-(4-ethyl-1,2,4-triazol-3-yl)ethanol is CCn1cnnc1C(O)CN.
What is the InChIKey of 2-amino-1-(4-ethyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is DLWHHCBHWFLBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-2-10-4-8-9-6(10)5(11)3-7/h4-5,11H,2-3,7H2,1H3.
What are the key properties of 2-amino-1-(4-ethyl-1,2,4-triazol-3-yl)ethanol?
2-amino-1-(4-ethyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 156.19 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-ethyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 66166309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).