N-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine

C10H15N5O2 — CID 103554932

IUPACN-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCc1nc([N+](=O)[O-])c(NC2C3CNCC32)n1C
InChIInChI=1S/C10H15N5O2/c1-5-12-10(15(16)17)9(14(5)2)13-8-6-3-11-4-7(6)8/h6-8,11,13H,3-4H2,1-2H3
InChIKeyDAVHVILGVVCXIA-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.27
Rot. Bonds3

About N-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine

N-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 103554932) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound NameN-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID103554932
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC NameN-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCc1nc([N+](=O)[O-])c(NC2C3CNCC32)n1C
InChIInChI=1S/C10H15N5O2/c1-5-12-10(15(16)17)9(14(5)2)13-8-6-3-11-4-7(6)8/h6-8,11,13H,3-4H2,1-2H3
InChIKeyDAVHVILGVVCXIA-UHFFFAOYSA-N
XLogP0.27
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.27
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-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-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

4-N-(2,3-dimethyl-5-nitroimidazol-4-yl)-1-N-methylcyclohexane-1,4-diamine
CID 103555044
7-N-(2,3-dimethyl-5-nitroimidazol-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 103555036
4-N-(2,3-dimethyl-5-nitroimidazol-4-yl)cyclohexane-1,4-diamine
CID 103554754
N-(2-ethylcyclohexyl)-2,3-dimethyl-5-nitroimidazol-4-amine
CID 103554797
3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 103554849
3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106258269
2,3-dimethyl-N-(4-methylcycloheptyl)-5-nitroimidazol-4-amine
CID 102809610
N-(azetidin-3-yl)-N,2,3-trimethyl-5-nitroimidazol-4-amine
CID 103555031
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
2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine
CID 103746170
4-(2,3-dimethyl-5-nitroimidazol-4-yl)oxypiperidine
CID 103555198
1-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]cyclopropane-1-carboxylic acid
CID 103554633

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of N-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine (CID 103554932) is N-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for N-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for N-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine is Cc1nc([N+](=O)[O-])c(NC2C3CNCC32)n1C.
What is the InChIKey of N-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is DAVHVILGVVCXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-5-12-10(15(16)17)9(14(5)2)13-8-6-3-11-4-7(6)8/h6-8,11,13H,3-4H2,1-2H3.
What are the key properties of N-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
N-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 237.26 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 103554932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).