N-(azetidin-3-yl)-3-methyl-5-nitroimidazol-4-amine

C7H11N5O2 — CID 66185866

IUPACN-(azetidin-3-yl)-3-methyl-5-nitroimidazol-4-amine
SMILESCn1cnc([N+](=O)[O-])c1NC1CNC1
InChIInChI=1S/C7H11N5O2/c1-11-4-9-6(12(13)14)7(11)10-5-2-8-3-5/h4-5,8,10H,2-3H2,1H3
InChIKeyLMTUNPGKQZXFIJ-UHFFFAOYSA-N
MW197.20 g/mol
LogP-0.29
Rot. Bonds3

About N-(azetidin-3-yl)-3-methyl-5-nitroimidazol-4-amine

N-(azetidin-3-yl)-3-methyl-5-nitroimidazol-4-amine (PubChem CID 66185866) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3-methyl-5-nitroimidazol-4-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3-methyl-5-nitroimidazol-4-amine
PubChem CID66185866
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC NameN-(azetidin-3-yl)-3-methyl-5-nitroimidazol-4-amine
SMILESCn1cnc([N+](=O)[O-])c1NC1CNC1
InChIInChI=1S/C7H11N5O2/c1-11-4-9-6(12(13)14)7(11)10-5-2-8-3-5/h4-5,8,10H,2-3H2,1H3
InChIKeyLMTUNPGKQZXFIJ-UHFFFAOYSA-N
XLogP-0.29
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
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'}

Analyze N-(azetidin-3-yl)-3-methyl-5-nitroimidazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methyl-5-nitroimidazol-4-yl)-1-propan-2-ylpiperidin-4-amine
CID 18095502
N-(3-methyl-5-nitroimidazol-4-yl)-1-propylpiperidin-4-amine
CID 18095690
3-methyl-N-(3-methylsulfanylcyclohexyl)-5-nitroimidazol-4-amine
CID 113237753
3-methyl-N-(2-methylcyclopentyl)-5-nitroimidazol-4-amine
CID 63281307
2-methyl-1-[4-[(3-methyl-5-nitroimidazol-4-yl)amino]piperidin-1-yl]propan-1-one
CID 34000782
2,2-dimethyl-3-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclobutan-1-ol
CID 114630052
1-(azetidin-3-yl)-4-(3-methyl-5-nitroimidazol-4-yl)piperazine
CID 66201823
2-cyclohexyl-2-[(3-methyl-5-nitroimidazol-4-yl)amino]acetic acid
CID 61016160
2-[(3-methyl-5-nitroimidazol-4-yl)amino]propane-1,3-diol
CID 65314028
N-butan-2-yl-3-methyl-5-nitroimidazol-4-amine
CID 43395607
3-methyl-5-nitro-N-phenylimidazol-4-amine
CID 2837298
2-cyclopropyl-2-[(3-methyl-5-nitroimidazol-4-yl)amino]acetic acid
CID 62696940

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-3-methyl-5-nitroimidazol-4-amine?
The IUPAC name of N-(azetidin-3-yl)-3-methyl-5-nitroimidazol-4-amine (CID 66185866) is N-(azetidin-3-yl)-3-methyl-5-nitroimidazol-4-amine.
What is the SMILES notation for N-(azetidin-3-yl)-3-methyl-5-nitroimidazol-4-amine?
The canonical SMILES for N-(azetidin-3-yl)-3-methyl-5-nitroimidazol-4-amine is Cn1cnc([N+](=O)[O-])c1NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-3-methyl-5-nitroimidazol-4-amine?
The InChIKey is LMTUNPGKQZXFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c1-11-4-9-6(12(13)14)7(11)10-5-2-8-3-5/h4-5,8,10H,2-3H2,1H3.
What are the key properties of N-(azetidin-3-yl)-3-methyl-5-nitroimidazol-4-amine?
N-(azetidin-3-yl)-3-methyl-5-nitroimidazol-4-amine has a molecular weight of 197.20 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-3-methyl-5-nitroimidazol-4-amine is sourced from PubChem (CID 66185866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).