N'-(2,3-dimethyl-5-nitroimidazol-4-yl)-N'-methylethane-1,2-diamine

C8H15N5O2 — CID 103554965

IUPACN'-(2,3-dimethyl-5-nitroimidazol-4-yl)-N'-methylethane-1,2-diamine
SMILESCc1nc([N+](=O)[O-])c(N(C)CCN)n1C
InChIInChI=1S/C8H15N5O2/c1-6-10-7(13(14)15)8(12(6)3)11(2)5-4-9/h4-5,9H2,1-3H3
InChIKeyHLFPBORCEGOVGG-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.03
Rot. Bonds4

About N'-(2,3-dimethyl-5-nitroimidazol-4-yl)-N'-methylethane-1,2-diamine

N'-(2,3-dimethyl-5-nitroimidazol-4-yl)-N'-methylethane-1,2-diamine (PubChem CID 103554965) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is N'-(2,3-dimethyl-5-nitroimidazol-4-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,3-dimethyl-5-nitroimidazol-4-yl)-N'-methylethane-1,2-diamine
PubChem CID103554965
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC NameN'-(2,3-dimethyl-5-nitroimidazol-4-yl)-N'-methylethane-1,2-diamine
SMILESCc1nc([N+](=O)[O-])c(N(C)CCN)n1C
InChIInChI=1S/C8H15N5O2/c1-6-10-7(13(14)15)8(12(6)3)11(2)5-4-9/h4-5,9H2,1-3H3
InChIKeyHLFPBORCEGOVGG-UHFFFAOYSA-N
XLogP0.03
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.03
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

ethyl 2-[(2,3-dimethyl-5-nitroimidazol-4-yl)-methylamino]acetate
CID 103860053
N-(azetidin-3-yl)-N,2,3-trimethyl-5-nitroimidazol-4-amine
CID 103555031
N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-N'-methylethane-1,2-diamine
CID 62686664
1-(2,3-dimethyl-5-nitroimidazol-4-yl)-N,N-dimethylmethanamine
CID 147221939
2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine
CID 103746170
2,3-dimethyl-5-nitro-N-(piperidin-3-ylmethyl)-N-propylimidazol-4-amine
CID 106644220
1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-methylpyrrolidin-3-amine
CID 103577754
2-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]propane-1,3-diol
CID 103696551
2-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]acetate
CID 7200415
3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-2-methylpropanoic acid
CID 103554595
[1-(2,3-dimethyl-5-nitroimidazol-4-yl)-6-methylpiperidin-3-yl]methanamine
CID 103555008
N'-methyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 62688298

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethyl-5-nitroimidazol-4-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(2,3-dimethyl-5-nitroimidazol-4-yl)-N'-methylethane-1,2-diamine (CID 103554965) is N'-(2,3-dimethyl-5-nitroimidazol-4-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(2,3-dimethyl-5-nitroimidazol-4-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(2,3-dimethyl-5-nitroimidazol-4-yl)-N'-methylethane-1,2-diamine is Cc1nc([N+](=O)[O-])c(N(C)CCN)n1C.
What is the InChIKey of N'-(2,3-dimethyl-5-nitroimidazol-4-yl)-N'-methylethane-1,2-diamine?
The InChIKey is HLFPBORCEGOVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-6-10-7(13(14)15)8(12(6)3)11(2)5-4-9/h4-5,9H2,1-3H3.
What are the key properties of N'-(2,3-dimethyl-5-nitroimidazol-4-yl)-N'-methylethane-1,2-diamine?
N'-(2,3-dimethyl-5-nitroimidazol-4-yl)-N'-methylethane-1,2-diamine has a molecular weight of 213.24 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 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)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 103554965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).