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

C12H24N4O2 — CID 111103195

IUPAC2-[2-methoxyethyl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]ethanol
SMILESCOCCN(CCO)Cc1nnc(C(C)C)n1C
InChIInChI=1S/C12H24N4O2/c1-10(2)12-14-13-11(15(12)3)9-16(5-7-17)6-8-18-4/h10,17H,5-9H2,1-4H3
InChIKeyVQJJRQWKAFFGQG-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.38
Rot. Bonds8

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

2-[2-methoxyethyl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]ethanol (PubChem CID 111103195) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-methoxyethyl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]ethanol
PubChem CID111103195
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name2-[2-methoxyethyl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]ethanol
SMILESCOCCN(CCO)Cc1nnc(C(C)C)n1C
InChIInChI=1S/C12H24N4O2/c1-10(2)12-14-13-11(15(12)3)9-16(5-7-17)6-8-18-4/h10,17H,5-9H2,1-4H3
InChIKeyVQJJRQWKAFFGQG-UHFFFAOYSA-N
XLogP0.38
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-methoxyethyl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]ethanol with MolForge

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Related Compounds

2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-(2-methoxyethyl)amino]ethanol
CID 115613823
2-[2-methoxyethyl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol
CID 115613663
2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-(2-methoxyethyl)amino]ethanol
CID 111436362
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-ethylamino]ethanol
CID 60967614
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-methoxyethyl)amino]ethanol
CID 113246452
3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropan-1-ol
CID 115872995
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-[2-methoxyethyl(naphthalen-1-ylmethyl)amino]ethanol
CID 111103161
2-[2-methoxyethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 111103242
2-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 110929495
2-[1H-imidazol-5-ylmethyl(2-methoxyethyl)amino]ethanol
CID 115882703

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]ethanol?
The IUPAC name of 2-[2-methoxyethyl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]ethanol (CID 111103195) is 2-[2-methoxyethyl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[2-methoxyethyl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[2-methoxyethyl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]ethanol is COCCN(CCO)Cc1nnc(C(C)C)n1C.
What is the InChIKey of 2-[2-methoxyethyl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]ethanol?
The InChIKey is VQJJRQWKAFFGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-10(2)12-14-13-11(15(12)3)9-16(5-7-17)6-8-18-4/h10,17H,5-9H2,1-4H3.
What are the key properties of 2-[2-methoxyethyl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]ethanol?
2-[2-methoxyethyl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]ethanol has a molecular weight of 256.35 g/mol, XLogP of 0.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]ethanol is sourced from PubChem (CID 111103195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).