4-(aminomethoxy)-1H-imidazol-5-amine

C4H8N4O — CID 23546857

IUPAC4-(aminomethoxy)-1H-imidazol-5-amine
SMILESNCOc1nc[nH]c1N
InChIInChI=1S/C4H8N4O/c5-1-9-4-3(6)7-2-8-4/h2H,1,5-6H2,(H,7,8)
InChIKeyWWICMCJDBDEIPI-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.71
Rot. Bonds2

About 4-(aminomethoxy)-1H-imidazol-5-amine

4-(aminomethoxy)-1H-imidazol-5-amine (PubChem CID 23546857) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 4-(aminomethoxy)-1H-imidazol-5-amine.

Molecular Properties

Compound Name4-(aminomethoxy)-1H-imidazol-5-amine
PubChem CID23546857
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name4-(aminomethoxy)-1H-imidazol-5-amine
SMILESNCOc1nc[nH]c1N
InChIInChI=1S/C4H8N4O/c5-1-9-4-3(6)7-2-8-4/h2H,1,5-6H2,(H,7,8)
InChIKeyWWICMCJDBDEIPI-UHFFFAOYSA-N
XLogP-0.71
TPSA89.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethoxy)-1H-imidazol-5-amine?
The IUPAC name of 4-(aminomethoxy)-1H-imidazol-5-amine (CID 23546857) is 4-(aminomethoxy)-1H-imidazol-5-amine.
What is the SMILES notation for 4-(aminomethoxy)-1H-imidazol-5-amine?
The canonical SMILES for 4-(aminomethoxy)-1H-imidazol-5-amine is NCOc1nc[nH]c1N.
What is the InChIKey of 4-(aminomethoxy)-1H-imidazol-5-amine?
The InChIKey is WWICMCJDBDEIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c5-1-9-4-3(6)7-2-8-4/h2H,1,5-6H2,(H,7,8).
What are the key properties of 4-(aminomethoxy)-1H-imidazol-5-amine?
4-(aminomethoxy)-1H-imidazol-5-amine has a molecular weight of 128.13 g/mol, XLogP of -0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethoxy)-1H-imidazol-5-amine is sourced from PubChem (CID 23546857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).