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

C14H20N4O2 — CID 107469348

IUPAC1-(2-amino-3-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
SMILESCCCn1ncnc1CC(O)c1cccc(OC)c1N
InChIInChI=1S/C14H20N4O2/c1-3-7-18-13(16-9-17-18)8-11(19)10-5-4-6-12(20-2)14(10)15/h4-6,9,11,19H,3,7-8,15H2,1-2H3
InChIKeySDMWPEPOALSAIR-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.55
Rot. Bonds6

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

1-(2-amino-3-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 107469348) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(2-amino-3-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-amino-3-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
PubChem CID107469348
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-(2-amino-3-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
SMILESCCCn1ncnc1CC(O)c1cccc(OC)c1N
InChIInChI=1S/C14H20N4O2/c1-3-7-18-13(16-9-17-18)8-11(19)10-5-4-6-12(20-2)14(10)15/h4-6,9,11,19H,3,7-8,15H2,1-2H3
InChIKeySDMWPEPOALSAIR-UHFFFAOYSA-N
XLogP1.55
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methyl-3-pyridinyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109761
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109818
1-(2-amino-3-methoxyphenyl)butan-1-ol
CID 105449196
2-amino-3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenol
CID 114764440
1-(2-methylfuran-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 104789442
1-(2-methoxy-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105002995
1-(2-amino-3-methoxyphenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 107469351
1-(2-amino-3-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 107469558
1-(2-amino-3-methoxyphenyl)-2-(4-chlorophenyl)ethanol
CID 107469515
1-(2,3-difluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003143
1-(2-amino-3-methoxyphenyl)propane-1,3-diol
CID 105450647
[1-(2-chlorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105211153

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-(2-amino-3-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol (CID 107469348) is 1-(2-amino-3-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-(2-amino-3-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-(2-amino-3-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol is CCCn1ncnc1CC(O)c1cccc(OC)c1N.
What is the InChIKey of 1-(2-amino-3-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is SDMWPEPOALSAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-7-18-13(16-9-17-18)8-11(19)10-5-4-6-12(20-2)14(10)15/h4-6,9,11,19H,3,7-8,15H2,1-2H3.
What are the key properties of 1-(2-amino-3-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
1-(2-amino-3-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 276.34 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 107469348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).