2-(5-nitro-1H-imidazol-4-yl)ethanamine

C5H8N4O2 — CID 135441538

IUPAC2-(5-nitro-1H-imidazol-4-yl)ethanamine
SMILESNCCc1nc[nH]c1[N+](=O)[O-]
InChIInChI=1S/C5H8N4O2/c6-2-1-4-5(9(10)11)8-3-7-4/h3H,1-2,6H2,(H,7,8)
InChIKeyVGWDLSZZEJWDPM-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.18
Rot. Bonds3

About 2-(5-nitro-1H-imidazol-4-yl)ethanamine

2-(5-nitro-1H-imidazol-4-yl)ethanamine (PubChem CID 135441538) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 2-(5-nitro-1H-imidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-nitro-1H-imidazol-4-yl)ethanamine
PubChem CID135441538
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name2-(5-nitro-1H-imidazol-4-yl)ethanamine
SMILESNCCc1nc[nH]c1[N+](=O)[O-]
InChIInChI=1S/C5H8N4O2/c6-2-1-4-5(9(10)11)8-3-7-4/h3H,1-2,6H2,(H,7,8)
InChIKeyVGWDLSZZEJWDPM-UHFFFAOYSA-N
XLogP-0.18
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-Methyl-5-nitroimidazole
CID 86278103
4-ethyl-2-methyl-5-nitro-1H-imidazole
CID 136006944
2-(2-methyl-5-nitro-1H-imidazol-4-yl)ethanamine
CID 136366022
Histamine, 5-nitro-N-trifluoroacetyl-
CID 135833389
4-(fluoromethyl)-5-nitro-1H-imidazole
CID 136402050
5-nitro-4-(1,1,2,2,2-pentafluoroethyl)-1H-imidazole
CID 136426035
2-(2-Nitroimidazolyl)ethylamine
CID 91619696
2-(4-Nitro-1H-imidazol-5-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 135502398
Histamine, N-acetyl-5-nitro-
CID 135789702
1,4,7,8-Tetrahydroimidazo[4,5-d][1,3]diazepine
CID 15375741
2-(1H-imidazol-5-yl)ethanamine;nitric acid
CID 85857992
5-methyl-4-nitroso-1H-imidazole
CID 88567736

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitro-1H-imidazol-4-yl)ethanamine?
The IUPAC name of 2-(5-nitro-1H-imidazol-4-yl)ethanamine (CID 135441538) is 2-(5-nitro-1H-imidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(5-nitro-1H-imidazol-4-yl)ethanamine?
The canonical SMILES for 2-(5-nitro-1H-imidazol-4-yl)ethanamine is NCCc1nc[nH]c1[N+](=O)[O-].
What is the InChIKey of 2-(5-nitro-1H-imidazol-4-yl)ethanamine?
The InChIKey is VGWDLSZZEJWDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c6-2-1-4-5(9(10)11)8-3-7-4/h3H,1-2,6H2,(H,7,8).
What are the key properties of 2-(5-nitro-1H-imidazol-4-yl)ethanamine?
2-(5-nitro-1H-imidazol-4-yl)ethanamine has a molecular weight of 156.15 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitro-1H-imidazol-4-yl)ethanamine is sourced from PubChem (CID 135441538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).