2-[4-[[bis[[1-(2-hydroxyethyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethanol

C15H24N10O3 — CID 85325312

IUPAC2-[4-[[bis[[1-(2-hydroxyethyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CN(Cc2cn(CCO)nn2)Cc2cn(CCO)nn2)nn1
InChIInChI=1S/C15H24N10O3/c26-4-1-23-10-13(16-19-23)7-22(8-14-11-24(2-5-27)20-17-14)9-15-12-25(3-6-28)21-18-15/h10-12,26-28H,1-9H2
InChIKeyUBECCOXTPTYDBC-UHFFFAOYSA-N
MW392.42 g/mol
LogP-2.36
Rot. Bonds12

About 2-[4-[[bis[[1-(2-hydroxyethyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethanol

2-[4-[[bis[[1-(2-hydroxyethyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethanol (PubChem CID 85325312) has the molecular formula C15H24N10O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-[4-[[bis[[1-(2-hydroxyethyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[bis[[1-(2-hydroxyethyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethanol
PubChem CID85325312
Molecular FormulaC15H24N10O3
Molecular Weight392.42 g/mol
Exact Mass392.20
IUPAC Name2-[4-[[bis[[1-(2-hydroxyethyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CN(Cc2cn(CCO)nn2)Cc2cn(CCO)nn2)nn1
InChIInChI=1S/C15H24N10O3/c26-4-1-23-10-13(16-19-23)7-22(8-14-11-24(2-5-27)20-17-14)9-15-12-25(3-6-28)21-18-15/h10-12,26-28H,1-9H2
InChIKeyUBECCOXTPTYDBC-UHFFFAOYSA-N
XLogP-2.36
TPSA156.06 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.42
LogP ≤ 5-2.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[bis[[1-(2-hydroxyethyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[bis[[1-(2-hydroxyethyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethanol (CID 85325312) is 2-[4-[[bis[[1-(2-hydroxyethyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[bis[[1-(2-hydroxyethyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[bis[[1-(2-hydroxyethyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethanol is OCCn1cc(CN(Cc2cn(CCO)nn2)Cc2cn(CCO)nn2)nn1.
What is the InChIKey of 2-[4-[[bis[[1-(2-hydroxyethyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethanol?
The InChIKey is UBECCOXTPTYDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N10O3/c26-4-1-23-10-13(16-19-23)7-22(8-14-11-24(2-5-27)20-17-14)9-15-12-25(3-6-28)21-18-15/h10-12,26-28H,1-9H2.
What are the key properties of 2-[4-[[bis[[1-(2-hydroxyethyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethanol?
2-[4-[[bis[[1-(2-hydroxyethyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethanol has a molecular weight of 392.42 g/mol, XLogP of -2.36, 12 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[bis[[1-(2-hydroxyethyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 85325312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).