4-(aminodiazenyl)-N,5-dimethyl-1H-imidazole-2-carboxamide

C6H10N6O — CID 173007869

IUPAC4-(aminodiazenyl)-N,5-dimethyl-1H-imidazole-2-carboxamide
SMILESCNC(=O)c1nc(N=NN)c(C)[nH]1
InChIInChI=1S/C6H10N6O/c1-3-4(11-12-7)10-5(9-3)6(13)8-2/h1-2H3,(H2,7,11)(H,8,13)(H,9,10)
InChIKeyYPCSVGCVNBNECV-UHFFFAOYSA-N
MW182.19 g/mol
LogP0.04
Rot. Bonds2

About 4-(aminodiazenyl)-N,5-dimethyl-1H-imidazole-2-carboxamide

4-(aminodiazenyl)-N,5-dimethyl-1H-imidazole-2-carboxamide (PubChem CID 173007869) has the molecular formula C6H10N6O and a molecular weight of 182.19 g/mol. Its IUPAC name is 4-(aminodiazenyl)-N,5-dimethyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name4-(aminodiazenyl)-N,5-dimethyl-1H-imidazole-2-carboxamide
PubChem CID173007869
Molecular FormulaC6H10N6O
Molecular Weight182.19 g/mol
Exact Mass182.09
IUPAC Name4-(aminodiazenyl)-N,5-dimethyl-1H-imidazole-2-carboxamide
SMILESCNC(=O)c1nc(N=NN)c(C)[nH]1
InChIInChI=1S/C6H10N6O/c1-3-4(11-12-7)10-5(9-3)6(13)8-2/h1-2H3,(H2,7,11)(H,8,13)(H,9,10)
InChIKeyYPCSVGCVNBNECV-UHFFFAOYSA-N
XLogP0.04
TPSA108.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 4-(aminodiazenyl)-N,5-dimethyl-1H-imidazole-2-carboxamide?
The IUPAC name of 4-(aminodiazenyl)-N,5-dimethyl-1H-imidazole-2-carboxamide (CID 173007869) is 4-(aminodiazenyl)-N,5-dimethyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for 4-(aminodiazenyl)-N,5-dimethyl-1H-imidazole-2-carboxamide?
The canonical SMILES for 4-(aminodiazenyl)-N,5-dimethyl-1H-imidazole-2-carboxamide is CNC(=O)c1nc(N=NN)c(C)[nH]1.
What is the InChIKey of 4-(aminodiazenyl)-N,5-dimethyl-1H-imidazole-2-carboxamide?
The InChIKey is YPCSVGCVNBNECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6O/c1-3-4(11-12-7)10-5(9-3)6(13)8-2/h1-2H3,(H2,7,11)(H,8,13)(H,9,10).
What are the key properties of 4-(aminodiazenyl)-N,5-dimethyl-1H-imidazole-2-carboxamide?
4-(aminodiazenyl)-N,5-dimethyl-1H-imidazole-2-carboxamide has a molecular weight of 182.19 g/mol, XLogP of 0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminodiazenyl)-N,5-dimethyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 173007869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).