2-(3-methyl-2H-imidazol-1-yl)ethanol;nitric acid

C6H13N3O4 — CID 175422160

IUPAC2-(3-methyl-2H-imidazol-1-yl)ethanol;nitric acid
SMILESCN1C=CN(CCO)C1.O=[N+]([O-])O
InChIInChI=1S/C6H12N2O.HNO3/c1-7-2-3-8(6-7)4-5-9;2-1(3)4/h2-3,9H,4-6H2,1H3;(H,2,3,4)
InChIKeyYHIMPTDUQJUHIN-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.69
Rot. Bonds2

About 2-(3-methyl-2H-imidazol-1-yl)ethanol;nitric acid

2-(3-methyl-2H-imidazol-1-yl)ethanol;nitric acid (PubChem CID 175422160) has the molecular formula C6H13N3O4 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-(3-methyl-2H-imidazol-1-yl)ethanol;nitric acid.

Molecular Properties

Compound Name2-(3-methyl-2H-imidazol-1-yl)ethanol;nitric acid
PubChem CID175422160
Molecular FormulaC6H13N3O4
Molecular Weight191.19 g/mol
Exact Mass191.09
IUPAC Name2-(3-methyl-2H-imidazol-1-yl)ethanol;nitric acid
SMILESCN1C=CN(CCO)C1.O=[N+]([O-])O
InChIInChI=1S/C6H12N2O.HNO3/c1-7-2-3-8(6-7)4-5-9;2-1(3)4/h2-3,9H,4-6H2,1H3;(H,2,3,4)
InChIKeyYHIMPTDUQJUHIN-UHFFFAOYSA-N
XLogP-0.69
TPSA90.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-methyl-2H-imidazol-1-yl)ethanol;nitric acid?
The IUPAC name of 2-(3-methyl-2H-imidazol-1-yl)ethanol;nitric acid (CID 175422160) is 2-(3-methyl-2H-imidazol-1-yl)ethanol;nitric acid.
What is the SMILES notation for 2-(3-methyl-2H-imidazol-1-yl)ethanol;nitric acid?
The canonical SMILES for 2-(3-methyl-2H-imidazol-1-yl)ethanol;nitric acid is CN1C=CN(CCO)C1.O=[N+]([O-])O.
What is the InChIKey of 2-(3-methyl-2H-imidazol-1-yl)ethanol;nitric acid?
The InChIKey is YHIMPTDUQJUHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.HNO3/c1-7-2-3-8(6-7)4-5-9;2-1(3)4/h2-3,9H,4-6H2,1H3;(H,2,3,4).
What are the key properties of 2-(3-methyl-2H-imidazol-1-yl)ethanol;nitric acid?
2-(3-methyl-2H-imidazol-1-yl)ethanol;nitric acid has a molecular weight of 191.19 g/mol, XLogP of -0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2H-imidazol-1-yl)ethanol;nitric acid is sourced from PubChem (CID 175422160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).