N-(azetidin-3-yl)-N,2,3-trimethyl-5-nitroimidazol-4-amine

C9H15N5O2 — CID 103555031

IUPACN-(azetidin-3-yl)-N,2,3-trimethyl-5-nitroimidazol-4-amine
SMILESCc1nc([N+](=O)[O-])c(N(C)C2CNC2)n1C
InChIInChI=1S/C9H15N5O2/c1-6-11-8(14(15)16)9(12(6)2)13(3)7-4-10-5-7/h7,10H,4-5H2,1-3H3
InChIKeyRGHTXQWYYUNXDT-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.04
Rot. Bonds3

About N-(azetidin-3-yl)-N,2,3-trimethyl-5-nitroimidazol-4-amine

N-(azetidin-3-yl)-N,2,3-trimethyl-5-nitroimidazol-4-amine (PubChem CID 103555031) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N,2,3-trimethyl-5-nitroimidazol-4-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N,2,3-trimethyl-5-nitroimidazol-4-amine
PubChem CID103555031
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC NameN-(azetidin-3-yl)-N,2,3-trimethyl-5-nitroimidazol-4-amine
SMILESCc1nc([N+](=O)[O-])c(N(C)C2CNC2)n1C
InChIInChI=1S/C9H15N5O2/c1-6-11-8(14(15)16)9(12(6)2)13(3)7-4-10-5-7/h7,10H,4-5H2,1-3H3
InChIKeyRGHTXQWYYUNXDT-UHFFFAOYSA-N
XLogP0.04
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.04
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

N'-(2,3-dimethyl-5-nitroimidazol-4-yl)-N'-methylethane-1,2-diamine
CID 103554965
2,3-dimethyl-5-nitro-N-(piperidin-3-ylmethyl)-N-propylimidazol-4-amine
CID 106644220
N-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 103554932
ethyl 2-[(2,3-dimethyl-5-nitroimidazol-4-yl)-methylamino]acetate
CID 103860053
4-(2,3-dimethyl-5-nitroimidazol-4-yl)oxypiperidine
CID 103555198
1-(2,3-dimethyl-5-nitroimidazol-4-yl)-N,N-dimethylmethanamine
CID 147221939
N-(azetidin-3-yl)-N,4-dimethyl-5-nitropyridin-2-amine
CID 79176539
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
1-[1-(2,3-dimethyl-5-nitroimidazol-4-yl)azetidin-3-yl]piperazine
CID 103555034
N-(3-methoxy-5-nitrophenyl)-N-methylazetidin-3-amine
CID 80744596
4-N-(2,3-dimethyl-5-nitroimidazol-4-yl)-1-N-methylcyclohexane-1,4-diamine
CID 103555044
3-(2,3-dimethyl-5-nitroimidazol-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane
CID 103555231

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N,2,3-trimethyl-5-nitroimidazol-4-amine?
The IUPAC name of N-(azetidin-3-yl)-N,2,3-trimethyl-5-nitroimidazol-4-amine (CID 103555031) is N-(azetidin-3-yl)-N,2,3-trimethyl-5-nitroimidazol-4-amine.
What is the SMILES notation for N-(azetidin-3-yl)-N,2,3-trimethyl-5-nitroimidazol-4-amine?
The canonical SMILES for N-(azetidin-3-yl)-N,2,3-trimethyl-5-nitroimidazol-4-amine is Cc1nc([N+](=O)[O-])c(N(C)C2CNC2)n1C.
What is the InChIKey of N-(azetidin-3-yl)-N,2,3-trimethyl-5-nitroimidazol-4-amine?
The InChIKey is RGHTXQWYYUNXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-6-11-8(14(15)16)9(12(6)2)13(3)7-4-10-5-7/h7,10H,4-5H2,1-3H3.
What are the key properties of N-(azetidin-3-yl)-N,2,3-trimethyl-5-nitroimidazol-4-amine?
N-(azetidin-3-yl)-N,2,3-trimethyl-5-nitroimidazol-4-amine has a molecular weight of 225.25 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N,2,3-trimethyl-5-nitroimidazol-4-amine is sourced from PubChem (CID 103555031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).