2-(2-amino-1H-imidazol-5-yl)acetaldehyde

C5H7N3O — CID 55253576

IUPAC2-(2-amino-1H-imidazol-5-yl)acetaldehyde
SMILESNc1ncc(CC=O)[nH]1
InChIInChI=1S/C5H7N3O/c6-5-7-3-4(8-5)1-2-9/h2-3H,1H2,(H3,6,7,8)
InChIKeyCLXBBSPBYURUNJ-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.27
Rot. Bonds2

About 2-(2-amino-1H-imidazol-5-yl)acetaldehyde

2-(2-amino-1H-imidazol-5-yl)acetaldehyde (PubChem CID 55253576) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 2-(2-amino-1H-imidazol-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-amino-1H-imidazol-5-yl)acetaldehyde
PubChem CID55253576
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name2-(2-amino-1H-imidazol-5-yl)acetaldehyde
SMILESNc1ncc(CC=O)[nH]1
InChIInChI=1S/C5H7N3O/c6-5-7-3-4(8-5)1-2-9/h2-3H,1H2,(H3,6,7,8)
InChIKeyCLXBBSPBYURUNJ-UHFFFAOYSA-N
XLogP-0.27
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1H-imidazol-5-yl)acetaldehyde?
The IUPAC name of 2-(2-amino-1H-imidazol-5-yl)acetaldehyde (CID 55253576) is 2-(2-amino-1H-imidazol-5-yl)acetaldehyde.
What is the SMILES notation for 2-(2-amino-1H-imidazol-5-yl)acetaldehyde?
The canonical SMILES for 2-(2-amino-1H-imidazol-5-yl)acetaldehyde is Nc1ncc(CC=O)[nH]1.
What is the InChIKey of 2-(2-amino-1H-imidazol-5-yl)acetaldehyde?
The InChIKey is CLXBBSPBYURUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c6-5-7-3-4(8-5)1-2-9/h2-3H,1H2,(H3,6,7,8).
What are the key properties of 2-(2-amino-1H-imidazol-5-yl)acetaldehyde?
2-(2-amino-1H-imidazol-5-yl)acetaldehyde has a molecular weight of 125.13 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1H-imidazol-5-yl)acetaldehyde is sourced from PubChem (CID 55253576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).