N,N,2-trimethyl-5-nitroimidazole-1-carboxamide

C7H10N4O3 — CID 154348868

IUPACN,N,2-trimethyl-5-nitroimidazole-1-carboxamide
SMILESCc1ncc([N+](=O)[O-])n1C(=O)N(C)C
InChIInChI=1S/C7H10N4O3/c1-5-8-4-6(11(13)14)10(5)7(12)9(2)3/h4H,1-3H3
InChIKeyNGYBLNKHOMTKIH-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.63
Rot. Bonds1

About N,N,2-trimethyl-5-nitroimidazole-1-carboxamide

N,N,2-trimethyl-5-nitroimidazole-1-carboxamide (PubChem CID 154348868) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is N,N,2-trimethyl-5-nitroimidazole-1-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethyl-5-nitroimidazole-1-carboxamide
PubChem CID154348868
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC NameN,N,2-trimethyl-5-nitroimidazole-1-carboxamide
SMILESCc1ncc([N+](=O)[O-])n1C(=O)N(C)C
InChIInChI=1S/C7H10N4O3/c1-5-8-4-6(11(13)14)10(5)7(12)9(2)3/h4H,1-3H3
InChIKeyNGYBLNKHOMTKIH-UHFFFAOYSA-N
XLogP0.63
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

N,N-dimethyl-5-nitro-2-propan-2-ylimidazole-1-carboxamide
CID 4591079
N-cyclohexyl-2-methyl-5-nitroimidazole-1-carboxamide
CID 20788089
(1S)-1-(2-methyl-5-nitroimidazol-1-yl)ethanol
CID 97049554
1-(2-methyl-5-nitroimidazol-1-yl)ethanol
CID 22622770
1-chloro-2-methyl-5-nitroimidazole
CID 174540208
ethane;2-methyl-5-nitro-1-propan-2-ylimidazole
CID 143610883
1-(deuteriomethyl)-2-methyl-5-nitroimidazole
CID 169225400
2-methyl-5-nitro-1-(trifluoromethyl)imidazole
CID 141070667
2-(2-methyl-5-nitroimidazol-1-yl)ethanol carbonate
CID 68777643
2-(2-methyl-5-nitroimidazol-1-yl)ethanol
CID 87813191
2-(2-methyl-5-nitroimidazol-1-yl)ethanol
CID 173359449
2-(2-methyl-5-nitroimidazol-1-yl)-1-piperidin-1-ylethanone
CID 134052222

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-5-nitroimidazole-1-carboxamide?
The IUPAC name of N,N,2-trimethyl-5-nitroimidazole-1-carboxamide (CID 154348868) is N,N,2-trimethyl-5-nitroimidazole-1-carboxamide.
What is the SMILES notation for N,N,2-trimethyl-5-nitroimidazole-1-carboxamide?
The canonical SMILES for N,N,2-trimethyl-5-nitroimidazole-1-carboxamide is Cc1ncc([N+](=O)[O-])n1C(=O)N(C)C.
What is the InChIKey of N,N,2-trimethyl-5-nitroimidazole-1-carboxamide?
The InChIKey is NGYBLNKHOMTKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-5-8-4-6(11(13)14)10(5)7(12)9(2)3/h4H,1-3H3.
What are the key properties of N,N,2-trimethyl-5-nitroimidazole-1-carboxamide?
N,N,2-trimethyl-5-nitroimidazole-1-carboxamide has a molecular weight of 198.18 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5-nitroimidazole-1-carboxamide is sourced from PubChem (CID 154348868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).