formyl-(1-methylimidazol-4-yl)azanium

C5H8N3O+ — CID 153278876

IUPACformyl-(1-methylimidazol-4-yl)azanium
SMILESCn1cnc([NH2+]C=O)c1
InChIInChI=1S/C5H7N3O/c1-8-2-5(6-3-8)7-4-9/h2-4H,1H3,(H,7,9)/p+1
InChIKeyPUIKRYJAZQPENJ-UHFFFAOYSA-O
MW126.14 g/mol
LogP-1.23
Rot. Bonds2

About formyl-(1-methylimidazol-4-yl)azanium

formyl-(1-methylimidazol-4-yl)azanium (PubChem CID 153278876) has the molecular formula C5H8N3O+ and a molecular weight of 126.14 g/mol. Its IUPAC name is formyl-(1-methylimidazol-4-yl)azanium.

Molecular Properties

Compound Nameformyl-(1-methylimidazol-4-yl)azanium
PubChem CID153278876
Molecular FormulaC5H8N3O+
Molecular Weight126.14 g/mol
Exact Mass126.07
IUPAC Nameformyl-(1-methylimidazol-4-yl)azanium
SMILESCn1cnc([NH2+]C=O)c1
InChIInChI=1S/C5H7N3O/c1-8-2-5(6-3-8)7-4-9/h2-4H,1H3,(H,7,9)/p+1
InChIKeyPUIKRYJAZQPENJ-UHFFFAOYSA-O
XLogP-1.23
TPSA51.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.14
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
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 formyl-(1-methylimidazol-4-yl)azanium?
The IUPAC name of formyl-(1-methylimidazol-4-yl)azanium (CID 153278876) is formyl-(1-methylimidazol-4-yl)azanium.
What is the SMILES notation for formyl-(1-methylimidazol-4-yl)azanium?
The canonical SMILES for formyl-(1-methylimidazol-4-yl)azanium is Cn1cnc([NH2+]C=O)c1.
What is the InChIKey of formyl-(1-methylimidazol-4-yl)azanium?
The InChIKey is PUIKRYJAZQPENJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H7N3O/c1-8-2-5(6-3-8)7-4-9/h2-4H,1H3,(H,7,9)/p+1.
What are the key properties of formyl-(1-methylimidazol-4-yl)azanium?
formyl-(1-methylimidazol-4-yl)azanium has a molecular weight of 126.14 g/mol, XLogP of -1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formyl-(1-methylimidazol-4-yl)azanium is sourced from PubChem (CID 153278876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).