N-[2-(1H-imidazol-5-yl)ethyl]-5-nitropyridin-2-amine

C10H11N5O2 — CID 10036954

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCCc2cnc[nH]2)nc1
InChIInChI=1S/C10H11N5O2/c16-15(17)9-1-2-10(13-6-9)12-4-3-8-5-11-7-14-8/h1-2,5-7H,3-4H2,(H,11,14)(H,12,13)
InChIKeySHUOJQMXDFQLNL-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.37
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-5-nitropyridin-2-amine

N-[2-(1H-imidazol-5-yl)ethyl]-5-nitropyridin-2-amine (PubChem CID 10036954) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-5-nitropyridin-2-amine
PubChem CID10036954
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCCc2cnc[nH]2)nc1
InChIInChI=1S/C10H11N5O2/c16-15(17)9-1-2-10(13-6-9)12-4-3-8-5-11-7-14-8/h1-2,5-7H,3-4H2,(H,11,14)(H,12,13)
InChIKeySHUOJQMXDFQLNL-UHFFFAOYSA-N
XLogP1.37
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.37
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 N-[2-(1H-imidazol-5-yl)ethyl]-5-nitropyridin-2-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-5-nitropyridin-2-amine (CID 10036954) is N-[2-(1H-imidazol-5-yl)ethyl]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-5-nitropyridin-2-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-5-nitropyridin-2-amine is O=[N+]([O-])c1ccc(NCCc2cnc[nH]2)nc1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-5-nitropyridin-2-amine?
The InChIKey is SHUOJQMXDFQLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c16-15(17)9-1-2-10(13-6-9)12-4-3-8-5-11-7-14-8/h1-2,5-7H,3-4H2,(H,11,14)(H,12,13).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-5-nitropyridin-2-amine?
N-[2-(1H-imidazol-5-yl)ethyl]-5-nitropyridin-2-amine has a molecular weight of 233.23 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 10036954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).