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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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).