4-[[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]methyl]oxan-4-ol

C11H20N4O3 — CID 81131023

IUPAC4-[[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]methyl]oxan-4-ol
SMILESOCCn1cc(CNCC2(O)CCOCC2)nn1
InChIInChI=1S/C11H20N4O3/c16-4-3-15-8-10(13-14-15)7-12-9-11(17)1-5-18-6-2-11/h8,12,16-17H,1-7,9H2
InChIKeyOFQIBMYDHRSIHW-UHFFFAOYSA-N
MW256.31 g/mol
LogP-1.10
Rot. Bonds6

About 4-[[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]methyl]oxan-4-ol

4-[[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]methyl]oxan-4-ol (PubChem CID 81131023) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]methyl]oxan-4-ol
PubChem CID81131023
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name4-[[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]methyl]oxan-4-ol
SMILESOCCn1cc(CNCC2(O)CCOCC2)nn1
InChIInChI=1S/C11H20N4O3/c16-4-3-15-8-10(13-14-15)7-12-9-11(17)1-5-18-6-2-11/h8,12,16-17H,1-7,9H2
InChIKeyOFQIBMYDHRSIHW-UHFFFAOYSA-N
XLogP-1.10
TPSA92.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

2-[4-[(morpholin-4-ylamino)methyl]triazol-1-yl]ethanol
CID 83011291
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CID 66270547
2-[4-[(prop-2-ynylamino)methyl]triazol-1-yl]ethanol
CID 66270343
2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol
CID 66269810
3-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]triazol-1-yl]propan-1-ol
CID 105415204
6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol
CID 114008894
2-[4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]triazol-1-yl]ethanol
CID 66269246
3-[(thiadiazol-4-ylmethylamino)methyl]oxolan-3-ol
CID 103923799
3-[[(1-propylpyrazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 103848292
2-[4-[(2-methylsulfanylethylamino)methyl]triazol-1-yl]ethanol
CID 66270211
3-[4-[[(3-methyloxan-3-yl)amino]methyl]triazol-1-yl]propan-1-ol
CID 114113524
2-[4-[(2,3,4,5,6-pentafluoroanilino)methyl]triazol-1-yl]ethanol
CID 115564130

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]methyl]oxan-4-ol (CID 81131023) is 4-[[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]methyl]oxan-4-ol is OCCn1cc(CNCC2(O)CCOCC2)nn1.
What is the InChIKey of 4-[[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]methyl]oxan-4-ol?
The InChIKey is OFQIBMYDHRSIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c16-4-3-15-8-10(13-14-15)7-12-9-11(17)1-5-18-6-2-11/h8,12,16-17H,1-7,9H2.
What are the key properties of 4-[[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]methyl]oxan-4-ol?
4-[[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]methyl]oxan-4-ol has a molecular weight of 256.31 g/mol, XLogP of -1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 81131023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).