3-(5-nitro-1H-imidazol-2-yl)propan-1-amine

C6H10N4O2 — CID 22142833

IUPAC3-(5-nitro-1H-imidazol-2-yl)propan-1-amine
SMILESNCCCc1ncc([N+](=O)[O-])[nH]1
InChIInChI=1S/C6H10N4O2/c7-3-1-2-5-8-4-6(9-5)10(11)12/h4H,1-3,7H2,(H,8,9)
InChIKeyFAPXNBXQJSBFSP-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.21
Rot. Bonds4

About 3-(5-nitro-1H-imidazol-2-yl)propan-1-amine

3-(5-nitro-1H-imidazol-2-yl)propan-1-amine (PubChem CID 22142833) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-(5-nitro-1H-imidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-nitro-1H-imidazol-2-yl)propan-1-amine
PubChem CID22142833
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name3-(5-nitro-1H-imidazol-2-yl)propan-1-amine
SMILESNCCCc1ncc([N+](=O)[O-])[nH]1
InChIInChI=1S/C6H10N4O2/c7-3-1-2-5-8-4-6(9-5)10(11)12/h4H,1-3,7H2,(H,8,9)
InChIKeyFAPXNBXQJSBFSP-UHFFFAOYSA-N
XLogP0.21
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.21
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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Frequently Asked Questions

What is the IUPAC name of 3-(5-nitro-1H-imidazol-2-yl)propan-1-amine?
The IUPAC name of 3-(5-nitro-1H-imidazol-2-yl)propan-1-amine (CID 22142833) is 3-(5-nitro-1H-imidazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5-nitro-1H-imidazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(5-nitro-1H-imidazol-2-yl)propan-1-amine is NCCCc1ncc([N+](=O)[O-])[nH]1.
What is the InChIKey of 3-(5-nitro-1H-imidazol-2-yl)propan-1-amine?
The InChIKey is FAPXNBXQJSBFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c7-3-1-2-5-8-4-6(9-5)10(11)12/h4H,1-3,7H2,(H,8,9).
What are the key properties of 3-(5-nitro-1H-imidazol-2-yl)propan-1-amine?
3-(5-nitro-1H-imidazol-2-yl)propan-1-amine has a molecular weight of 170.17 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-nitro-1H-imidazol-2-yl)propan-1-amine is sourced from PubChem (CID 22142833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).