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

C5H8N4O2 — CID 91619696

IUPAC2-(2-nitro-1H-imidazol-5-yl)ethanamine
SMILESNCCc1cnc([N+](=O)[O-])[nH]1
InChIInChI=1S/C5H8N4O2/c6-2-1-4-3-7-5(8-4)9(10)11/h3H,1-2,6H2,(H,7,8)
InChIKeyJDDPEJUKGITDJS-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.18
Rot. Bonds3

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

2-(2-nitro-1H-imidazol-5-yl)ethanamine (PubChem CID 91619696) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 2-(2-nitro-1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-nitro-1H-imidazol-5-yl)ethanamine
PubChem CID91619696
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name2-(2-nitro-1H-imidazol-5-yl)ethanamine
SMILESNCCc1cnc([N+](=O)[O-])[nH]1
InChIInChI=1S/C5H8N4O2/c6-2-1-4-3-7-5(8-4)9(10)11/h3H,1-2,6H2,(H,7,8)
InChIKeyJDDPEJUKGITDJS-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

Histamine
CID 774
Histamine Dihydrochloride
CID 5818
Histamine Phosphate
CID 65513
N,N-Dimethyl-1H-imidazole-4-ethanamine
CID 12656
Histamine Hydrochloride
CID 120160
2-(1H-Imidazol-5-yl)ethan-1-aminium
CID 25201573
N(alpha)-methylhistamine
CID 912
alpha-Methyl-1H-imidazole-5-ethanamine
CID 3615
2-Methylhistamine
CID 91613
alpha-methylhistamine, (R)-
CID 156615
1H-Imidazole-5-propanamine
CID 170389
2-(1h-Imidazol-4-yl)propan-1-amine
CID 565544

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitro-1H-imidazol-5-yl)ethanamine?
The IUPAC name of 2-(2-nitro-1H-imidazol-5-yl)ethanamine (CID 91619696) is 2-(2-nitro-1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2-nitro-1H-imidazol-5-yl)ethanamine?
The canonical SMILES for 2-(2-nitro-1H-imidazol-5-yl)ethanamine is NCCc1cnc([N+](=O)[O-])[nH]1.
What is the InChIKey of 2-(2-nitro-1H-imidazol-5-yl)ethanamine?
The InChIKey is JDDPEJUKGITDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c6-2-1-4-3-7-5(8-4)9(10)11/h3H,1-2,6H2,(H,7,8).
What are the key properties of 2-(2-nitro-1H-imidazol-5-yl)ethanamine?
2-(2-nitro-1H-imidazol-5-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-(2-nitro-1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 91619696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).