2-(aminodiazenyl)-3-methylimidazole-4-carboxamide

C5H8N6O — CID 54422836

IUPAC2-(aminodiazenyl)-3-methylimidazole-4-carboxamide
SMILESCn1c(C(N)=O)cnc1N=NN
InChIInChI=1S/C5H8N6O/c1-11-3(4(6)12)2-8-5(11)9-10-7/h2H,1H3,(H2,6,12)(H2,7,8,9)
InChIKeyWBZUSDQVWKYLAC-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.52
Rot. Bonds2

About 2-(aminodiazenyl)-3-methylimidazole-4-carboxamide

2-(aminodiazenyl)-3-methylimidazole-4-carboxamide (PubChem CID 54422836) has the molecular formula C5H8N6O and a molecular weight of 168.16 g/mol. Its IUPAC name is 2-(aminodiazenyl)-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminodiazenyl)-3-methylimidazole-4-carboxamide
PubChem CID54422836
Molecular FormulaC5H8N6O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name2-(aminodiazenyl)-3-methylimidazole-4-carboxamide
SMILESCn1c(C(N)=O)cnc1N=NN
InChIInChI=1S/C5H8N6O/c1-11-3(4(6)12)2-8-5(11)9-10-7/h2H,1H3,(H2,6,12)(H2,7,8,9)
InChIKeyWBZUSDQVWKYLAC-UHFFFAOYSA-N
XLogP-0.52
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-(aminodiazenyl)-3-methylimidazole-4-carboxamide?
The IUPAC name of 2-(aminodiazenyl)-3-methylimidazole-4-carboxamide (CID 54422836) is 2-(aminodiazenyl)-3-methylimidazole-4-carboxamide.
What is the SMILES notation for 2-(aminodiazenyl)-3-methylimidazole-4-carboxamide?
The canonical SMILES for 2-(aminodiazenyl)-3-methylimidazole-4-carboxamide is Cn1c(C(N)=O)cnc1N=NN.
What is the InChIKey of 2-(aminodiazenyl)-3-methylimidazole-4-carboxamide?
The InChIKey is WBZUSDQVWKYLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6O/c1-11-3(4(6)12)2-8-5(11)9-10-7/h2H,1H3,(H2,6,12)(H2,7,8,9).
What are the key properties of 2-(aminodiazenyl)-3-methylimidazole-4-carboxamide?
2-(aminodiazenyl)-3-methylimidazole-4-carboxamide has a molecular weight of 168.16 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminodiazenyl)-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 54422836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).