2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]ethanol

C7H14N4O — CID 43524828

IUPAC2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]ethanol
SMILESCc1nnc(CNCCO)n1C
InChIInChI=1S/C7H14N4O/c1-6-9-10-7(11(6)2)5-8-3-4-12/h8,12H,3-5H2,1-2H3
InChIKeyIEYHXLPYHJAIEV-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.79
Rot. Bonds4

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

2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]ethanol (PubChem CID 43524828) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]ethanol
PubChem CID43524828
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]ethanol
SMILESCc1nnc(CNCCO)n1C
InChIInChI=1S/C7H14N4O/c1-6-9-10-7(11(6)2)5-8-3-4-12/h8,12H,3-5H2,1-2H3
InChIKeyIEYHXLPYHJAIEV-UHFFFAOYSA-N
XLogP-0.79
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(dimethyl-4H-1,2,4-triazol-3-yl)methanol
CID 18726738
5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol dihydrochloride
CID 54595923
3-(methoxymethyl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 57416366
(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757591
(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methanol
CID 45122042
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55262032
1,1,1-Trifluoro-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 63902306
2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103857826
3-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 105645041
3-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methylamino]-1,1-difluoropropan-2-ol
CID 105645795
1,1-Difluoro-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 105645855
2-(2,2-difluoroethoxy)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 105910910

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]ethanol?
The IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]ethanol (CID 43524828) is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]ethanol?
The canonical SMILES for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]ethanol is Cc1nnc(CNCCO)n1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]ethanol?
The InChIKey is IEYHXLPYHJAIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-6-9-10-7(11(6)2)5-8-3-4-12/h8,12H,3-5H2,1-2H3.
What are the key properties of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]ethanol?
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]ethanol has a molecular weight of 170.22 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]ethanol is sourced from PubChem (CID 43524828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).