N,N-dimethyl-5-nitro-1H-imidazole-2-carboxamide

C6H8N4O3 — CID 134132749

IUPACN,N-dimethyl-5-nitro-1H-imidazole-2-carboxamide
SMILESCN(C)C(=O)c1ncc([N+](=O)[O-])[nH]1
InChIInChI=1S/C6H8N4O3/c1-9(2)6(11)5-7-3-4(8-5)10(12)13/h3H,1-2H3,(H,7,8)
InChIKeyGWMFDPGTHLYUHK-UHFFFAOYSA-N
MW184.16 g/mol
LogP0.02
Rot. Bonds2

About N,N-dimethyl-5-nitro-1H-imidazole-2-carboxamide

N,N-dimethyl-5-nitro-1H-imidazole-2-carboxamide (PubChem CID 134132749) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is N,N-dimethyl-5-nitro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-nitro-1H-imidazole-2-carboxamide
PubChem CID134132749
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC NameN,N-dimethyl-5-nitro-1H-imidazole-2-carboxamide
SMILESCN(C)C(=O)c1ncc([N+](=O)[O-])[nH]1
InChIInChI=1S/C6H8N4O3/c1-9(2)6(11)5-7-3-4(8-5)10(12)13/h3H,1-2H3,(H,7,8)
InChIKeyGWMFDPGTHLYUHK-UHFFFAOYSA-N
XLogP0.02
TPSA92.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 N,N-dimethyl-5-nitro-1H-imidazole-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-nitro-1H-imidazole-2-carboxamide (CID 134132749) is N,N-dimethyl-5-nitro-1H-imidazole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-nitro-1H-imidazole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-nitro-1H-imidazole-2-carboxamide is CN(C)C(=O)c1ncc([N+](=O)[O-])[nH]1.
What is the InChIKey of N,N-dimethyl-5-nitro-1H-imidazole-2-carboxamide?
The InChIKey is GWMFDPGTHLYUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c1-9(2)6(11)5-7-3-4(8-5)10(12)13/h3H,1-2H3,(H,7,8).
What are the key properties of N,N-dimethyl-5-nitro-1H-imidazole-2-carboxamide?
N,N-dimethyl-5-nitro-1H-imidazole-2-carboxamide has a molecular weight of 184.16 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-nitro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 134132749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).