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

C9H18N4O2 — CID 66269646

IUPAC4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]butan-2-ol
SMILESCC(O)CCNCc1cn(CCO)nn1
InChIInChI=1S/C9H18N4O2/c1-8(15)2-3-10-6-9-7-13(4-5-14)12-11-9/h7-8,10,14-15H,2-6H2,1H3
InChIKeyXGEBMFYKSKZUDK-UHFFFAOYSA-N
MW214.27 g/mol
LogP-0.87
Rot. Bonds7

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

4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]butan-2-ol (PubChem CID 66269646) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]butan-2-ol
PubChem CID66269646
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]butan-2-ol
SMILESCC(O)CCNCc1cn(CCO)nn1
InChIInChI=1S/C9H18N4O2/c1-8(15)2-3-10-6-9-7-13(4-5-14)12-11-9/h7-8,10,14-15H,2-6H2,1H3
InChIKeyXGEBMFYKSKZUDK-UHFFFAOYSA-N
XLogP-0.87
TPSA83.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol
CID 66270359
2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol
CID 104759404
2-[4-[(2-methylsulfanylethylamino)methyl]triazol-1-yl]ethanol
CID 66270211
6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol
CID 114008894
2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol
CID 66269810
2-[4-[[3-(2-methylpropoxy)propylamino]methyl]triazol-1-yl]ethanol
CID 66269221
2-[4-[(2,2,3-trimethylbutylamino)methyl]triazol-1-yl]ethanol
CID 114099502
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]propanenitrile
CID 66270547
2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol
CID 66268074
2-[4-[(prop-2-ynylamino)methyl]triazol-1-yl]ethanol
CID 66270343
2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol
CID 66268833
3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol
CID 104759251

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]butan-2-ol?
The IUPAC name of 4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]butan-2-ol (CID 66269646) is 4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]butan-2-ol.
What is the SMILES notation for 4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]butan-2-ol?
The canonical SMILES for 4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]butan-2-ol is CC(O)CCNCc1cn(CCO)nn1.
What is the InChIKey of 4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]butan-2-ol?
The InChIKey is XGEBMFYKSKZUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-8(15)2-3-10-6-9-7-13(4-5-14)12-11-9/h7-8,10,14-15H,2-6H2,1H3.
What are the key properties of 4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]butan-2-ol?
4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]butan-2-ol has a molecular weight of 214.27 g/mol, XLogP of -0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]butan-2-ol is sourced from PubChem (CID 66269646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).