1-phenyl-2-[(3-propyltriazol-4-yl)amino]ethanol

C13H18N4O — CID 114222733

IUPAC1-phenyl-2-[(3-propyltriazol-4-yl)amino]ethanol
SMILESCCCn1nncc1NCC(O)c1ccccc1
InChIInChI=1S/C13H18N4O/c1-2-8-17-13(10-15-16-17)14-9-12(18)11-6-4-3-5-7-11/h3-7,10,12,14,18H,2,8-9H2,1H3
InChIKeyRXVQEZOYUFJQAR-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.83
Rot. Bonds6

About 1-phenyl-2-[(3-propyltriazol-4-yl)amino]ethanol

1-phenyl-2-[(3-propyltriazol-4-yl)amino]ethanol (PubChem CID 114222733) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-phenyl-2-[(3-propyltriazol-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[(3-propyltriazol-4-yl)amino]ethanol
PubChem CID114222733
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-phenyl-2-[(3-propyltriazol-4-yl)amino]ethanol
SMILESCCCn1nncc1NCC(O)c1ccccc1
InChIInChI=1S/C13H18N4O/c1-2-8-17-13(10-15-16-17)14-9-12(18)11-6-4-3-5-7-11/h3-7,10,12,14,18H,2,8-9H2,1H3
InChIKeyRXVQEZOYUFJQAR-UHFFFAOYSA-N
XLogP1.83
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-3-(3-propyltriazol-4-yl)propan-1-ol
CID 114690545
1-phenyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine
CID 114223486
N-propan-2-yl-3-propyltriazol-4-amine
CID 130486605
2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-1-phenylethanol
CID 66017879
2-amino-2-phenyl-1-(3-propyltriazol-4-yl)ethanone
CID 114691818
3-[(2-hydroxy-2-phenylethyl)amino]-1-propylpyrazin-2-one
CID 62940894
N,N-diethyl-2-[(3-propyltriazol-4-yl)amino]acetamide
CID 114222846
2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686339
[2-methoxy-2-phenyl-1-(3-propyltriazol-4-yl)ethyl]hydrazine
CID 105279057
N,2-dimethyl-2-phenyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 114687624
(3-propyltriazol-4-yl)-pyridazin-4-ylmethanol
CID 105126997
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(3-propyltriazol-4-yl)amino]ethanol?
The IUPAC name of 1-phenyl-2-[(3-propyltriazol-4-yl)amino]ethanol (CID 114222733) is 1-phenyl-2-[(3-propyltriazol-4-yl)amino]ethanol.
What is the SMILES notation for 1-phenyl-2-[(3-propyltriazol-4-yl)amino]ethanol?
The canonical SMILES for 1-phenyl-2-[(3-propyltriazol-4-yl)amino]ethanol is CCCn1nncc1NCC(O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[(3-propyltriazol-4-yl)amino]ethanol?
The InChIKey is RXVQEZOYUFJQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-8-17-13(10-15-16-17)14-9-12(18)11-6-4-3-5-7-11/h3-7,10,12,14,18H,2,8-9H2,1H3.
What are the key properties of 1-phenyl-2-[(3-propyltriazol-4-yl)amino]ethanol?
1-phenyl-2-[(3-propyltriazol-4-yl)amino]ethanol has a molecular weight of 246.31 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[(3-propyltriazol-4-yl)amino]ethanol is sourced from PubChem (CID 114222733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).