2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]ethanol

C7H14N4O — CID 115778052

IUPAC2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]ethanol
SMILESCN(CCO)Cc1cn(C)nn1
InChIInChI=1S/C7H14N4O/c1-10(3-4-12)5-7-6-11(2)9-8-7/h6,12H,3-5H2,1-2H3
InChIKeyGAGGUALSBNAJHW-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.76
Rot. Bonds4

About 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]ethanol

2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]ethanol (PubChem CID 115778052) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]ethanol
PubChem CID115778052
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]ethanol
SMILESCN(CCO)Cc1cn(C)nn1
InChIInChI=1S/C7H14N4O/c1-10(3-4-12)5-7-6-11(2)9-8-7/h6,12H,3-5H2,1-2H3
InChIKeyGAGGUALSBNAJHW-UHFFFAOYSA-N
XLogP-0.76
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl-[(1-methyltriazol-4-yl)methyl]amino]butan-2-ol
CID 103866978
3-[ethyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol
CID 103866980
2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol
CID 103880987
(1-methyltriazol-4-yl)methanol;tungsten
CID 163298775
3-fluoro-4-[[methyl-[(1-methyltriazol-4-yl)methyl]amino]methyl]benzoic acid
CID 167744989
2-bromo-3-methoxy-N-methyl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
CID 107054124
2-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]ethanol
CID 107052530
2-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethanol
CID 165469366
N-(2-bromoethyl)-2,2-difluoro-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 107487611
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
2-[(1-methyltriazol-4-yl)methylsulfanyl]ethanol
CID 103866287
N-(2-aminoethyl)-N-[(1-methyltriazol-4-yl)methyl]prop-2-enamide
CID 178119851

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]ethanol?
The IUPAC name of 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]ethanol (CID 115778052) is 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]ethanol is CN(CCO)Cc1cn(C)nn1.
What is the InChIKey of 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]ethanol?
The InChIKey is GAGGUALSBNAJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-10(3-4-12)5-7-6-11(2)9-8-7/h6,12H,3-5H2,1-2H3.
What are the key properties of 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]ethanol?
2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]ethanol has a molecular weight of 170.22 g/mol, XLogP of -0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 115778052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).