2-[(E)-aminodiazenyl]-3-methylimidazole-4-carboxamide

C5H8N6O — CID 21080159

IUPAC2-[(E)-aminodiazenyl]-3-methylimidazole-4-carboxamide
SMILESCn1c(C(N)=O)cnc1/N=N/N
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-[(E)-aminodiazenyl]-3-methylimidazole-4-carboxamide

2-[(E)-aminodiazenyl]-3-methylimidazole-4-carboxamide (PubChem CID 21080159) has the molecular formula C5H8N6O and a molecular weight of 168.16 g/mol. Its IUPAC name is 2-[(E)-aminodiazenyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[(E)-aminodiazenyl]-3-methylimidazole-4-carboxamide
PubChem CID21080159
Molecular FormulaC5H8N6O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name2-[(E)-aminodiazenyl]-3-methylimidazole-4-carboxamide
SMILESCn1c(C(N)=O)cnc1/N=N/N
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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Related Compounds

1H-imidazole-5-carboxamide
CID 152917
1H-imidazole-5-carbohydrazide
CID 225355
1-Methyl-1H-imidazole-5-carbohydrazide
CID 468661
1-methyl-1H-imidazole-5-carboxamide
CID 2736884
4-Amino-1-methyl-1H-imidazole-5-carboxamide
CID 222242
7H,8H-imidazo[1,5-a]pyrazin-8-one
CID 308341
2-methyl-1H-imidazole-4-carboxamide
CID 14517188
N-Methyl-1H-imidazole-4-carboxamide
CID 565659
2-(dimethylamino)-1-methyl-1H-imidazole-5-carbaldehyde
CID 21097280
5-bromo-7H,8H-imidazo(1,5-a)pyrazin-8-one
CID 71414471
3-bromo-7H,8H-imidazo[1,5-a]pyrazin-8-one
CID 83382740
7H,8H-imidazo[1,5-a]pyrazin-8-one hydrochloride
CID 164523227

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-aminodiazenyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of 2-[(E)-aminodiazenyl]-3-methylimidazole-4-carboxamide (CID 21080159) is 2-[(E)-aminodiazenyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for 2-[(E)-aminodiazenyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for 2-[(E)-aminodiazenyl]-3-methylimidazole-4-carboxamide is Cn1c(C(N)=O)cnc1/N=N/N.
What is the InChIKey of 2-[(E)-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-[(E)-aminodiazenyl]-3-methylimidazole-4-carboxamide?
2-[(E)-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-[(E)-aminodiazenyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 21080159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).