2-[1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]triazol-4-yl]ethanol

C10H14N6O3 — CID 44582506

IUPAC2-[1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]triazol-4-yl]ethanol
SMILESCc1ncc([N+](=O)[O-])n1CCn1cc(CCO)nn1
InChIInChI=1S/C10H14N6O3/c1-8-11-6-10(16(18)19)15(8)4-3-14-7-9(2-5-17)12-13-14/h6-7,17H,2-5H2,1H3
InChIKeyLPVJKQWTXUWECT-UHFFFAOYSA-N
MW266.26 g/mol
LogP-0.07
Rot. Bonds6

About 2-[1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]triazol-4-yl]ethanol

2-[1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]triazol-4-yl]ethanol (PubChem CID 44582506) has the molecular formula C10H14N6O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-[1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]triazol-4-yl]ethanol
PubChem CID44582506
Molecular FormulaC10H14N6O3
Molecular Weight266.26 g/mol
Exact Mass266.11
IUPAC Name2-[1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]triazol-4-yl]ethanol
SMILESCc1ncc([N+](=O)[O-])n1CCn1cc(CCO)nn1
InChIInChI=1S/C10H14N6O3/c1-8-11-6-10(16(18)19)15(8)4-3-14-7-9(2-5-17)12-13-14/h6-7,17H,2-5H2,1H3
InChIKeyLPVJKQWTXUWECT-UHFFFAOYSA-N
XLogP-0.07
TPSA111.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]triazol-4-yl]ethanol (CID 44582506) is 2-[1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]triazol-4-yl]ethanol is Cc1ncc([N+](=O)[O-])n1CCn1cc(CCO)nn1.
What is the InChIKey of 2-[1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]triazol-4-yl]ethanol?
The InChIKey is LPVJKQWTXUWECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O3/c1-8-11-6-10(16(18)19)15(8)4-3-14-7-9(2-5-17)12-13-14/h6-7,17H,2-5H2,1H3.
What are the key properties of 2-[1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]triazol-4-yl]ethanol?
2-[1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]triazol-4-yl]ethanol has a molecular weight of 266.26 g/mol, XLogP of -0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]triazol-4-yl]ethanol is sourced from PubChem (CID 44582506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).