N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-imidazol-2-amine

C9H15N5O3 — CID 19827670

IUPACN,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-imidazol-2-amine
SMILESCN(C)c1nc(N2CCOCC2)c([N+](=O)[O-])[nH]1
InChIInChI=1S/C9H15N5O3/c1-12(2)9-10-7(8(11-9)14(15)16)13-3-5-17-6-4-13/h3-6H2,1-2H3,(H,10,11)
InChIKeyXGUAJIPIJOJFBA-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.22
Rot. Bonds3

About N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-imidazol-2-amine

N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-imidazol-2-amine (PubChem CID 19827670) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-imidazol-2-amine
PubChem CID19827670
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC NameN,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-imidazol-2-amine
SMILESCN(C)c1nc(N2CCOCC2)c([N+](=O)[O-])[nH]1
InChIInChI=1S/C9H15N5O3/c1-12(2)9-10-7(8(11-9)14(15)16)13-3-5-17-6-4-13/h3-6H2,1-2H3,(H,10,11)
InChIKeyXGUAJIPIJOJFBA-UHFFFAOYSA-N
XLogP0.22
TPSA87.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.22
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

4-(4-methyl-5-nitro-1H-pyrazol-3-yl)morpholine
CID 19827688
N-butyl-N-methyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine
CID 23489511
4-morpholin-4-yl-5-nitro-1,2-thiazol-3-amine
CID 19827662
4-(2-ethoxy-6-methyl-5-nitropyrimidin-4-yl)morpholine
CID 10635583
4-(3,5-dinitro-2-pyridinyl)morpholine
CID 2847997
6-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine
CID 23487272
5-nitro-6-(1,4-oxazepan-4-yl)-N-propylpyridin-2-amine
CID 80823287
6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-yl-5-nitropyrimidin-4-amine
CID 7562246
4-N,4-N-dimethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 27396187
5-nitro-6-(1,4-oxazepan-4-yl)pyridine-2-carboxylic acid
CID 114404068
4-(5-nitro-6-propan-2-yloxypyrimidin-4-yl)morpholine
CID 23489628
4-N,4-N-dimethyl-2-morpholin-4-ylpyrimidine-4,5-diamine
CID 121204937

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-imidazol-2-amine?
The IUPAC name of N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-imidazol-2-amine (CID 19827670) is N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-imidazol-2-amine.
What is the SMILES notation for N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-imidazol-2-amine?
The canonical SMILES for N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-imidazol-2-amine is CN(C)c1nc(N2CCOCC2)c([N+](=O)[O-])[nH]1.
What is the InChIKey of N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-imidazol-2-amine?
The InChIKey is XGUAJIPIJOJFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-12(2)9-10-7(8(11-9)14(15)16)13-3-5-17-6-4-13/h3-6H2,1-2H3,(H,10,11).
What are the key properties of N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-imidazol-2-amine?
N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-imidazol-2-amine has a molecular weight of 241.25 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-imidazol-2-amine is sourced from PubChem (CID 19827670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).