4-diazenyl-1H-imidazole-5-carboxamide;methanol

C5H9N5O2 — CID 143820747

IUPAC4-diazenyl-1H-imidazole-5-carboxamide;methanol
SMILESCO.[H]/N=N/c1nc[nH]c1C(N)=O
InChIInChI=1S/C4H5N5O.CH4O/c5-3(10)2-4(9-6)8-1-7-2;1-2/h1,6H,(H2,5,10)(H,7,8);2H,1H3/b9-6+;
InChIKeyPCUGYWURCCVSIM-MLBSPLJJSA-N
MW171.16 g/mol
LogP-0.22
Rot. Bonds2

About 4-diazenyl-1H-imidazole-5-carboxamide;methanol

4-diazenyl-1H-imidazole-5-carboxamide;methanol (PubChem CID 143820747) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is 4-diazenyl-1H-imidazole-5-carboxamide;methanol.

Molecular Properties

Compound Name4-diazenyl-1H-imidazole-5-carboxamide;methanol
PubChem CID143820747
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC Name4-diazenyl-1H-imidazole-5-carboxamide;methanol
SMILESCO.[H]/N=N/c1nc[nH]c1C(N)=O
InChIInChI=1S/C4H5N5O.CH4O/c5-3(10)2-4(9-6)8-1-7-2;1-2/h1,6H,(H2,5,10)(H,7,8);2H,1H3/b9-6+;
InChIKeyPCUGYWURCCVSIM-MLBSPLJJSA-N
XLogP-0.22
TPSA128.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-diazenyl-1H-imidazole-5-carboxamide;methanol?
The IUPAC name of 4-diazenyl-1H-imidazole-5-carboxamide;methanol (CID 143820747) is 4-diazenyl-1H-imidazole-5-carboxamide;methanol.
What is the SMILES notation for 4-diazenyl-1H-imidazole-5-carboxamide;methanol?
The canonical SMILES for 4-diazenyl-1H-imidazole-5-carboxamide;methanol is CO.[H]/N=N/c1nc[nH]c1C(N)=O.
What is the InChIKey of 4-diazenyl-1H-imidazole-5-carboxamide;methanol?
The InChIKey is PCUGYWURCCVSIM-MLBSPLJJSA-N. The full InChI is InChI=1S/C4H5N5O.CH4O/c5-3(10)2-4(9-6)8-1-7-2;1-2/h1,6H,(H2,5,10)(H,7,8);2H,1H3/b9-6+;.
What are the key properties of 4-diazenyl-1H-imidazole-5-carboxamide;methanol?
4-diazenyl-1H-imidazole-5-carboxamide;methanol has a molecular weight of 171.16 g/mol, XLogP of -0.22, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazenyl-1H-imidazole-5-carboxamide;methanol is sourced from PubChem (CID 143820747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).