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

C10H20N4O2 — CID 66268687

IUPAC2-[4-[(1-ethoxypropan-2-ylamino)methyl]triazol-1-yl]ethanol
SMILESCCOCC(C)NCc1cn(CCO)nn1
InChIInChI=1S/C10H20N4O2/c1-3-16-8-9(2)11-6-10-7-14(4-5-15)13-12-10/h7,9,11,15H,3-6,8H2,1-2H3
InChIKeyTXXNVCAXNMSMHO-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.22
Rot. Bonds8

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

2-[4-[(1-ethoxypropan-2-ylamino)methyl]triazol-1-yl]ethanol (PubChem CID 66268687) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-[4-[(1-ethoxypropan-2-ylamino)methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-ethoxypropan-2-ylamino)methyl]triazol-1-yl]ethanol
PubChem CID66268687
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name2-[4-[(1-ethoxypropan-2-ylamino)methyl]triazol-1-yl]ethanol
SMILESCCOCC(C)NCc1cn(CCO)nn1
InChIInChI=1S/C10H20N4O2/c1-3-16-8-9(2)11-6-10-7-14(4-5-15)13-12-10/h7,9,11,15H,3-6,8H2,1-2H3
InChIKeyTXXNVCAXNMSMHO-UHFFFAOYSA-N
XLogP-0.22
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol
CID 66268833
2-[4-[(octan-2-ylamino)methyl]triazol-1-yl]ethanol
CID 66269808
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol
CID 66269866
3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269304
2-[4-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]triazol-1-yl]ethanol
CID 66268505
2-[4-[[[(1S)-1-phenylethyl]amino]methyl]triazol-1-yl]ethanol
CID 81351583
3-[4-[[1-(diethylamino)propan-2-ylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269515
3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268933
2-[4-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol
CID 81371367
2-[4-[[1-(4-methylphenyl)ethylamino]methyl]triazol-1-yl]ethanol
CID 66268295
2-[4-[[3-(2-methylpropoxy)propylamino]methyl]triazol-1-yl]ethanol
CID 66269221
2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol
CID 104759404

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethoxypropan-2-ylamino)methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(1-ethoxypropan-2-ylamino)methyl]triazol-1-yl]ethanol (CID 66268687) is 2-[4-[(1-ethoxypropan-2-ylamino)methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(1-ethoxypropan-2-ylamino)methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(1-ethoxypropan-2-ylamino)methyl]triazol-1-yl]ethanol is CCOCC(C)NCc1cn(CCO)nn1.
What is the InChIKey of 2-[4-[(1-ethoxypropan-2-ylamino)methyl]triazol-1-yl]ethanol?
The InChIKey is TXXNVCAXNMSMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-3-16-8-9(2)11-6-10-7-14(4-5-15)13-12-10/h7,9,11,15H,3-6,8H2,1-2H3.
What are the key properties of 2-[4-[(1-ethoxypropan-2-ylamino)methyl]triazol-1-yl]ethanol?
2-[4-[(1-ethoxypropan-2-ylamino)methyl]triazol-1-yl]ethanol has a molecular weight of 228.30 g/mol, XLogP of -0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethoxypropan-2-ylamino)methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66268687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).