N-[2-(1H-imidazol-5-yl)ethyl]-3-nitropyridin-4-amine

C10H11N5O2 — CID 65232136

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-3-nitropyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1NCCc1cnc[nH]1
InChIInChI=1S/C10H11N5O2/c16-15(17)10-6-11-3-2-9(10)13-4-1-8-5-12-7-14-8/h2-3,5-7H,1,4H2,(H,11,13)(H,12,14)
InChIKeyIOTVJPXTCSTHEA-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.37
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-3-nitropyridin-4-amine

N-[2-(1H-imidazol-5-yl)ethyl]-3-nitropyridin-4-amine (PubChem CID 65232136) 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]-3-nitropyridin-4-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-3-nitropyridin-4-amine
PubChem CID65232136
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-3-nitropyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1NCCc1cnc[nH]1
InChIInChI=1S/C10H11N5O2/c16-15(17)10-6-11-3-2-9(10)13-4-1-8-5-12-7-14-8/h2-3,5-7H,1,4H2,(H,11,13)(H,12,14)
InChIKeyIOTVJPXTCSTHEA-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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Related Compounds

3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitroaniline
CID 104835994
4-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 19864513
N-(2-naphthalen-1-ylethyl)-3-nitropyridin-4-amine
CID 125493578
6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol
CID 103918222
N-[2-(3-methylphenyl)ethyl]-3-nitropyridin-4-amine
CID 55062133
N-[2-(1-methylimidazol-2-yl)ethyl]-3-nitropyridin-4-amine
CID 61211864
N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 79175854
6-[2-(1H-imidazol-5-yl)ethylamino]-7-nitro-1H-quinazoline-2,4-dione
CID 141131506
N-[2-(1H-imidazol-5-yl)ethyl]-3-methoxy-4-nitroaniline
CID 65231944
N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine
CID 62663408
N-methyl-2-[(3-nitro-4-pyridinyl)amino]ethanesulfonamide
CID 114175321
N-(5-methylhexyl)-3-nitropyridin-4-amine
CID 79003361

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-3-nitropyridin-4-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-3-nitropyridin-4-amine (CID 65232136) is N-[2-(1H-imidazol-5-yl)ethyl]-3-nitropyridin-4-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-3-nitropyridin-4-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-3-nitropyridin-4-amine is O=[N+]([O-])c1cnccc1NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-3-nitropyridin-4-amine?
The InChIKey is IOTVJPXTCSTHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c16-15(17)10-6-11-3-2-9(10)13-4-1-8-5-12-7-14-8/h2-3,5-7H,1,4H2,(H,11,13)(H,12,14).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-3-nitropyridin-4-amine?
N-[2-(1H-imidazol-5-yl)ethyl]-3-nitropyridin-4-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]-3-nitropyridin-4-amine is sourced from PubChem (CID 65232136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).