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

C12H16N4O — CID 106695795

IUPAC1-(3-aminophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
SMILESCCn1ncnc1CC(O)c1cccc(N)c1
InChIInChI=1S/C12H16N4O/c1-2-16-12(14-8-15-16)7-11(17)9-4-3-5-10(13)6-9/h3-6,8,11,17H,2,7,13H2,1H3
InChIKeyYRXPEJYIMZMQQK-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.16
Rot. Bonds4

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

1-(3-aminophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 106695795) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
PubChem CID106695795
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-(3-aminophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
SMILESCCn1ncnc1CC(O)c1cccc(N)c1
InChIInChI=1S/C12H16N4O/c1-2-16-12(14-8-15-16)7-11(17)9-4-3-5-10(13)6-9/h3-6,8,11,17H,2,7,13H2,1H3
InChIKeyYRXPEJYIMZMQQK-UHFFFAOYSA-N
XLogP1.16
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 106695869
1-[4-(difluoromethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 115524867
3-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]aniline
CID 79133781
1-(3-aminophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 106695853
1-(5-bromothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 105109063
1-(3-chloro-2-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 107103402
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572689
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethanol
CID 114075656
(3-aminophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanol
CID 112744495
1-(3-aminophenyl)-2-(1-ethylindazol-3-yl)ethanol
CID 106695746
1-(3-aminophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 106695693
2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanol
CID 105109150

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol (CID 106695795) is 1-(3-aminophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol is CCn1ncnc1CC(O)c1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is YRXPEJYIMZMQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-16-12(14-8-15-16)7-11(17)9-4-3-5-10(13)6-9/h3-6,8,11,17H,2,7,13H2,1H3.
What are the key properties of 1-(3-aminophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol?
1-(3-aminophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 232.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 106695795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).