4-amino-1-methyl-1H-imidazole-5-carboselenoamide

C5H7N4Se — CID 6327894

IUPAC—
SMILES[H]/N=C(\[Se])c1c(N)ncn1C
InChIInChI=1S/C5H7N4Se/c1-9-2-8-4(6)3(9)5(7)10/h2,7H,6H2,1H3/b7-5-
InChIKeySMYADAJBJIXZHB-ALCCZGGFSA-N
MW202.10 g/mol
LogP-0.50
Rot. Bonds1

About 4-amino-1-methyl-1H-imidazole-5-carboselenoamide

4-amino-1-methyl-1H-imidazole-5-carboselenoamide (PubChem CID 6327894) has the molecular formula C5H7N4Se and a molecular weight of 202.10 g/mol.

Molecular Properties

Compound Name4-amino-1-methyl-1H-imidazole-5-carboselenoamide
PubChem CID6327894
Molecular FormulaC5H7N4Se
Molecular Weight202.10 g/mol
Exact Mass202.98
IUPAC Name—
SMILES[H]/N=C(\[Se])c1c(N)ncn1C
InChIInChI=1S/C5H7N4Se/c1-9-2-8-4(6)3(9)5(7)10/h2,7H,6H2,1H3/b7-5-
InChIKeySMYADAJBJIXZHB-ALCCZGGFSA-N
XLogP-0.50
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.10
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-1H-imidazole-5-carboselenoamide?
The IUPAC name of 4-amino-1-methyl-1H-imidazole-5-carboselenoamide (CID 6327894) is not available.
What is the SMILES notation for 4-amino-1-methyl-1H-imidazole-5-carboselenoamide?
The canonical SMILES for 4-amino-1-methyl-1H-imidazole-5-carboselenoamide is [H]/N=C(\[Se])c1c(N)ncn1C.
What is the InChIKey of 4-amino-1-methyl-1H-imidazole-5-carboselenoamide?
The InChIKey is SMYADAJBJIXZHB-ALCCZGGFSA-N. The full InChI is InChI=1S/C5H7N4Se/c1-9-2-8-4(6)3(9)5(7)10/h2,7H,6H2,1H3/b7-5-.
What are the key properties of 4-amino-1-methyl-1H-imidazole-5-carboselenoamide?
4-amino-1-methyl-1H-imidazole-5-carboselenoamide has a molecular weight of 202.10 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-1H-imidazole-5-carboselenoamide is sourced from PubChem (CID 6327894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).