1-(2,3-dimethyl-5-nitroimidazol-4-yl)-N,N-dimethylmethanamine

C8H14N4O2 — CID 147221939

IUPAC1-(2,3-dimethyl-5-nitroimidazol-4-yl)-N,N-dimethylmethanamine
SMILESCc1nc([N+](=O)[O-])c(CN(C)C)n1C
InChIInChI=1S/C8H14N4O2/c1-6-9-8(12(13)14)7(11(6)4)5-10(2)3/h5H2,1-4H3
InChIKeyCHFZZAFHNQYGTH-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.70
Rot. Bonds3

About 1-(2,3-dimethyl-5-nitroimidazol-4-yl)-N,N-dimethylmethanamine

1-(2,3-dimethyl-5-nitroimidazol-4-yl)-N,N-dimethylmethanamine (PubChem CID 147221939) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 1-(2,3-dimethyl-5-nitroimidazol-4-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2,3-dimethyl-5-nitroimidazol-4-yl)-N,N-dimethylmethanamine
PubChem CID147221939
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name1-(2,3-dimethyl-5-nitroimidazol-4-yl)-N,N-dimethylmethanamine
SMILESCc1nc([N+](=O)[O-])c(CN(C)C)n1C
InChIInChI=1S/C8H14N4O2/c1-6-9-8(12(13)14)7(11(6)4)5-10(2)3/h5H2,1-4H3
InChIKeyCHFZZAFHNQYGTH-UHFFFAOYSA-N
XLogP0.70
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.70
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'-(2,3-dimethyl-5-nitroimidazol-4-yl)-N'-methylethane-1,2-diamine
CID 103554965
N-(azetidin-3-yl)-N,2,3-trimethyl-5-nitroimidazol-4-amine
CID 103555031
ethyl 2-[(2,3-dimethyl-5-nitroimidazol-4-yl)-methylamino]acetate
CID 103860053
2-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]acetate
CID 7200415
2-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]propane-1,3-diol
CID 103696551
2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine
CID 103746170
1-[1-(2,3-dimethyl-5-nitroimidazol-4-yl)azetidin-3-yl]piperazine
CID 103555034
1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-methylpyrrolidin-3-amine
CID 103577754
2,3-dimethyl-5-nitro-N-pent-4-en-2-ylimidazol-4-amine
CID 103554894
3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-2-methylpropanoic acid
CID 103554595
2,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-nitroimidazol-4-amine
CID 103554789
2,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-nitroimidazol-4-amine
CID 104695952

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-5-nitroimidazol-4-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2,3-dimethyl-5-nitroimidazol-4-yl)-N,N-dimethylmethanamine (CID 147221939) is 1-(2,3-dimethyl-5-nitroimidazol-4-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2,3-dimethyl-5-nitroimidazol-4-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2,3-dimethyl-5-nitroimidazol-4-yl)-N,N-dimethylmethanamine is Cc1nc([N+](=O)[O-])c(CN(C)C)n1C.
What is the InChIKey of 1-(2,3-dimethyl-5-nitroimidazol-4-yl)-N,N-dimethylmethanamine?
The InChIKey is CHFZZAFHNQYGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-6-9-8(12(13)14)7(11(6)4)5-10(2)3/h5H2,1-4H3.
What are the key properties of 1-(2,3-dimethyl-5-nitroimidazol-4-yl)-N,N-dimethylmethanamine?
1-(2,3-dimethyl-5-nitroimidazol-4-yl)-N,N-dimethylmethanamine has a molecular weight of 198.23 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-5-nitroimidazol-4-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 147221939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).