2-[4-[(morpholin-4-ylamino)methyl]triazol-1-yl]ethanol

C9H17N5O2 — CID 83011291

IUPAC2-[4-[(morpholin-4-ylamino)methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNN2CCOCC2)nn1
InChIInChI=1S/C9H17N5O2/c15-4-1-14-8-9(11-12-14)7-10-13-2-5-16-6-3-13/h8,10,15H,1-7H2
InChIKeyCFEQTKRAIJOPHV-UHFFFAOYSA-N
MW227.27 g/mol
LogP-1.39
Rot. Bonds5

About 2-[4-[(morpholin-4-ylamino)methyl]triazol-1-yl]ethanol

2-[4-[(morpholin-4-ylamino)methyl]triazol-1-yl]ethanol (PubChem CID 83011291) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-[4-[(morpholin-4-ylamino)methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(morpholin-4-ylamino)methyl]triazol-1-yl]ethanol
PubChem CID83011291
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name2-[4-[(morpholin-4-ylamino)methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNN2CCOCC2)nn1
InChIInChI=1S/C9H17N5O2/c15-4-1-14-8-9(11-12-14)7-10-13-2-5-16-6-3-13/h8,10,15H,1-7H2
InChIKeyCFEQTKRAIJOPHV-UHFFFAOYSA-N
XLogP-1.39
TPSA75.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]methyl]oxan-4-ol
CID 81131023
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2-[4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]triazol-1-yl]ethanol
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2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol
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2-[4-[(1-cyclohexylethylamino)methyl]triazol-1-yl]ethanol
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2-[4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]triazol-1-yl]ethanol
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2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol
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2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N,N-dimethylacetamide
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2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol
CID 66269810

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(morpholin-4-ylamino)methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(morpholin-4-ylamino)methyl]triazol-1-yl]ethanol (CID 83011291) is 2-[4-[(morpholin-4-ylamino)methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(morpholin-4-ylamino)methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(morpholin-4-ylamino)methyl]triazol-1-yl]ethanol is OCCn1cc(CNN2CCOCC2)nn1.
What is the InChIKey of 2-[4-[(morpholin-4-ylamino)methyl]triazol-1-yl]ethanol?
The InChIKey is CFEQTKRAIJOPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c15-4-1-14-8-9(11-12-14)7-10-13-2-5-16-6-3-13/h8,10,15H,1-7H2.
What are the key properties of 2-[4-[(morpholin-4-ylamino)methyl]triazol-1-yl]ethanol?
2-[4-[(morpholin-4-ylamino)methyl]triazol-1-yl]ethanol has a molecular weight of 227.27 g/mol, XLogP of -1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(morpholin-4-ylamino)methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 83011291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).