2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-(2-methoxyethyl)amino]ethanol

C10H20N4O2 — CID 115613823

IUPAC2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)Cc1nnc(C)n1C
InChIInChI=1S/C10H20N4O2/c1-9-11-12-10(13(9)2)8-14(4-6-15)5-7-16-3/h15H,4-8H2,1-3H3
InChIKeyYSMBWRURPVSVKW-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.44
Rot. Bonds7

About 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-(2-methoxyethyl)amino]ethanol

2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-(2-methoxyethyl)amino]ethanol (PubChem CID 115613823) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-(2-methoxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-(2-methoxyethyl)amino]ethanol
PubChem CID115613823
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)Cc1nnc(C)n1C
InChIInChI=1S/C10H20N4O2/c1-9-11-12-10(13(9)2)8-14(4-6-15)5-7-16-3/h15H,4-8H2,1-3H3
InChIKeyYSMBWRURPVSVKW-UHFFFAOYSA-N
XLogP-0.44
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-methoxyethyl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]ethanol
CID 111103195
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-ethylamino]ethanol
CID 60967614
2-[2-methoxyethyl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol
CID 115613663
2-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 110929495
2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-(2-methoxyethyl)amino]ethanol
CID 111436362
3-(methoxymethyl)-4,5-dimethyl-1,2,4-triazole
CID 58259870
2-[2-methoxyethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 111103242
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-methoxyethyl)amino]ethanol
CID 113246452
2-[(2-amino-2-oxoethyl)-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetic acid
CID 107440581
2-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol
CID 111436382
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]ethanol
CID 113468043
2-[bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethanol
CID 130419260

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-(2-methoxyethyl)amino]ethanol?
The IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-(2-methoxyethyl)amino]ethanol (CID 115613823) is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-(2-methoxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-(2-methoxyethyl)amino]ethanol?
The canonical SMILES for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-(2-methoxyethyl)amino]ethanol is COCCN(CCO)Cc1nnc(C)n1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-(2-methoxyethyl)amino]ethanol?
The InChIKey is YSMBWRURPVSVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-9-11-12-10(13(9)2)8-14(4-6-15)5-7-16-3/h15H,4-8H2,1-3H3.
What are the key properties of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-(2-methoxyethyl)amino]ethanol?
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-(2-methoxyethyl)amino]ethanol has a molecular weight of 228.30 g/mol, XLogP of -0.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-(2-methoxyethyl)amino]ethanol is sourced from PubChem (CID 115613823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).