2-[2-hydroxyethyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]ethanol

C8H16N4O2 — CID 162384997

IUPAC2-[2-hydroxyethyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]ethanol
SMILESOCCN(CCO)CCn1cncn1
InChIInChI=1S/C8H16N4O2/c13-5-3-11(4-6-14)1-2-12-8-9-7-10-12/h7-8,13-14H,1-6H2
InChIKeyPKMBJFOOTCLNDV-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.44
Rot. Bonds7

About 2-[2-hydroxyethyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]ethanol

2-[2-hydroxyethyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]ethanol (PubChem CID 162384997) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]ethanol
PubChem CID162384997
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name2-[2-hydroxyethyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]ethanol
SMILESOCCN(CCO)CCn1cncn1
InChIInChI=1S/C8H16N4O2/c13-5-3-11(4-6-14)1-2-12-8-9-7-10-12/h7-8,13-14H,1-6H2
InChIKeyPKMBJFOOTCLNDV-UHFFFAOYSA-N
XLogP-1.44
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]carbamoyl chloride
CID 131847612
N-cyclohexyl-N-(2-hydroxyethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 54942539
1-(2-fluoroethyl)-1,2,4-triazole
CID 18406854
2-(1,2,4-triazol-1-yl)ethanamine
CID 3039957
N-[(3,4-dichlorophenyl)methyl]-2-(1,2,4-triazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine;hydrochloride
CID 52948059
N-[(3-chlorophenyl)methyl]-2-(1,2,4-triazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
CID 46934268
2-[methyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]acetonitrile
CID 156563626
2-(1,2,4-triazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
CID 50987387
6-(1,2,4-triazol-1-yl)hex-2-en-1-ol
CID 70383221
N,N-dimethyl-1-(1,2,4-triazol-1-yl)methanamine;vanadium
CID 161276001
3-[5-(1,2,4-triazol-1-yl)pentan-2-yloxy]propan-1-ol
CID 129273593
N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 110899828

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]ethanol (CID 162384997) is 2-[2-hydroxyethyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]ethanol is OCCN(CCO)CCn1cncn1.
What is the InChIKey of 2-[2-hydroxyethyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]ethanol?
The InChIKey is PKMBJFOOTCLNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c13-5-3-11(4-6-14)1-2-12-8-9-7-10-12/h7-8,13-14H,1-6H2.
What are the key properties of 2-[2-hydroxyethyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]ethanol?
2-[2-hydroxyethyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]ethanol has a molecular weight of 200.24 g/mol, XLogP of -1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]ethanol is sourced from PubChem (CID 162384997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).