2-[4-[(3-butan-2-yloxyanilino)methyl]triazol-1-yl]ethanol

C15H22N4O2 — CID 66268122

IUPAC2-[4-[(3-butan-2-yloxyanilino)methyl]triazol-1-yl]ethanol
SMILESCCC(C)Oc1cccc(NCc2cn(CCO)nn2)c1
InChIInChI=1S/C15H22N4O2/c1-3-12(2)21-15-6-4-5-13(9-15)16-10-14-11-19(7-8-20)18-17-14/h4-6,9,11-12,16,20H,3,7-8,10H2,1-2H3
InChIKeyOKRBTXJNSCUBID-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.06
Rot. Bonds8

About 2-[4-[(3-butan-2-yloxyanilino)methyl]triazol-1-yl]ethanol

2-[4-[(3-butan-2-yloxyanilino)methyl]triazol-1-yl]ethanol (PubChem CID 66268122) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[4-[(3-butan-2-yloxyanilino)methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-butan-2-yloxyanilino)methyl]triazol-1-yl]ethanol
PubChem CID66268122
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[4-[(3-butan-2-yloxyanilino)methyl]triazol-1-yl]ethanol
SMILESCCC(C)Oc1cccc(NCc2cn(CCO)nn2)c1
InChIInChI=1S/C15H22N4O2/c1-3-12(2)21-15-6-4-5-13(9-15)16-10-14-11-19(7-8-20)18-17-14/h4-6,9,11-12,16,20H,3,7-8,10H2,1-2H3
InChIKeyOKRBTXJNSCUBID-UHFFFAOYSA-N
XLogP2.06
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(3-butan-2-yloxyanilino)methyl]triazol-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[3-(2-methylpropoxy)anilino]methyl]triazol-1-yl]ethanol
CID 66269059
2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol
CID 66270531
N-ethyl-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
CID 66269230
3-butan-2-yloxy-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107042351
3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115682485
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
2-[4-[[3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol
CID 66269771
6-[(3-butan-2-yloxyanilino)methyl]pyridin-3-ol
CID 79794177
3-butan-2-yloxy-N-[(2,6-dichlorophenyl)methyl]aniline
CID 63478157
2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol
CID 66268072
5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol
CID 107701075
2-[4-[(2-propoxyanilino)methyl]triazol-1-yl]ethanol
CID 66269794

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-butan-2-yloxyanilino)methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(3-butan-2-yloxyanilino)methyl]triazol-1-yl]ethanol (CID 66268122) is 2-[4-[(3-butan-2-yloxyanilino)methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(3-butan-2-yloxyanilino)methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(3-butan-2-yloxyanilino)methyl]triazol-1-yl]ethanol is CCC(C)Oc1cccc(NCc2cn(CCO)nn2)c1.
What is the InChIKey of 2-[4-[(3-butan-2-yloxyanilino)methyl]triazol-1-yl]ethanol?
The InChIKey is OKRBTXJNSCUBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-12(2)21-15-6-4-5-13(9-15)16-10-14-11-19(7-8-20)18-17-14/h4-6,9,11-12,16,20H,3,7-8,10H2,1-2H3.
What are the key properties of 2-[4-[(3-butan-2-yloxyanilino)methyl]triazol-1-yl]ethanol?
2-[4-[(3-butan-2-yloxyanilino)methyl]triazol-1-yl]ethanol has a molecular weight of 290.37 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-butan-2-yloxyanilino)methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66268122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).