1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-methylpyrrolidin-3-amine

C10H17N5O2 — CID 103577754

IUPAC1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-methylpyrrolidin-3-amine
SMILESCc1nc([N+](=O)[O-])c(N2CC(C)C(N)C2)n1C
InChIInChI=1S/C10H17N5O2/c1-6-4-14(5-8(6)11)10-9(15(16)17)12-7(2)13(10)3/h6,8H,4-5,11H2,1-3H3
InChIKeyTWOOLQIFZJGBBE-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.42
Rot. Bonds2

About 1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-methylpyrrolidin-3-amine

1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-methylpyrrolidin-3-amine (PubChem CID 103577754) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-methylpyrrolidin-3-amine
PubChem CID103577754
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-methylpyrrolidin-3-amine
SMILESCc1nc([N+](=O)[O-])c(N2CC(C)C(N)C2)n1C
InChIInChI=1S/C10H17N5O2/c1-6-4-14(5-8(6)11)10-9(15(16)17)12-7(2)13(10)3/h6,8H,4-5,11H2,1-3H3
InChIKeyTWOOLQIFZJGBBE-UHFFFAOYSA-N
XLogP0.42
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1-[1-(2,3-dimethyl-5-nitroimidazol-4-yl)azetidin-3-yl]piperazine
CID 103555034
[1-(2,3-dimethyl-5-nitroimidazol-4-yl)-6-methylpiperidin-3-yl]methanamine
CID 103555008
[1-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-methylpyrrolidin-2-yl]methanol
CID 103555147
[4-(2,3-dimethyl-5-nitroimidazol-4-yl)morpholin-2-yl]methanol
CID 113251748
5-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 103555039
3-amino-1-(2,3-dimethyl-5-nitroimidazol-4-yl)pyrrolidine-3-carboxylic acid
CID 107325464
1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-methylpiperidine-2-carboxylic acid
CID 103554699
1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-ethylpiperidine-4-carboxylic acid
CID 103554602
6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine
CID 103577786
4-bromo-1-(2,3-dimethyl-5-nitroimidazol-4-yl)-3,5-dimethylpyrazole
CID 103555119
4-methyl-1-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)pyrrolidin-3-amine
CID 103577760
4-methyl-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-3-amine
CID 103577513

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-methylpyrrolidin-3-amine (CID 103577754) is 1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-methylpyrrolidin-3-amine is Cc1nc([N+](=O)[O-])c(N2CC(C)C(N)C2)n1C.
What is the InChIKey of 1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-methylpyrrolidin-3-amine?
The InChIKey is TWOOLQIFZJGBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-6-4-14(5-8(6)11)10-9(15(16)17)12-7(2)13(10)3/h6,8H,4-5,11H2,1-3H3.
What are the key properties of 1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-methylpyrrolidin-3-amine?
1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-methylpyrrolidin-3-amine has a molecular weight of 239.28 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103577754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).