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

C9H18N4O — CID 60967614

IUPAC2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1nnc(C)n1C
InChIInChI=1S/C9H18N4O/c1-4-13(5-6-14)7-9-11-10-8(2)12(9)3/h14H,4-7H2,1-3H3
InChIKeyMICKWRISIGFFIC-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.06
Rot. Bonds5

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

2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-ethylamino]ethanol (PubChem CID 60967614) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-ethylamino]ethanol
PubChem CID60967614
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1nnc(C)n1C
InChIInChI=1S/C9H18N4O/c1-4-13(5-6-14)7-9-11-10-8(2)12(9)3/h14H,4-7H2,1-3H3
InChIKeyMICKWRISIGFFIC-UHFFFAOYSA-N
XLogP-0.06
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-amino-2-oxoethyl)-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetic acid
CID 107440581
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpropan-2-amine
CID 156857462
2-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
CID 82311782
2-[butyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
CID 78990642
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-ethylazetidin-3-amine
CID 66183471
2-[2-methoxyethyl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]ethanol
CID 111103195
2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 55205984
1-[5-(diethylamino)pentan-2-yl]-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 110998670
3,4-dimethyl-5-pentyl-1,2,4-triazole
CID 91086402
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-ethylamino]propan-1-ol
CID 115666454
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]benzimidazole
CID 112684885

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-ethylamino]ethanol?
The IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-ethylamino]ethanol (CID 60967614) is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-ethylamino]ethanol.
What is the SMILES notation for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-ethylamino]ethanol?
The canonical SMILES for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-ethylamino]ethanol is CCN(CCO)Cc1nnc(C)n1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-ethylamino]ethanol?
The InChIKey is MICKWRISIGFFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-4-13(5-6-14)7-9-11-10-8(2)12(9)3/h14H,4-7H2,1-3H3.
What are the key properties of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-ethylamino]ethanol?
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-ethylamino]ethanol has a molecular weight of 198.27 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 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)methyl-ethylamino]ethanol is sourced from PubChem (CID 60967614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).