2,3-dimethyl-5-nitro-N-pent-4-en-2-ylimidazol-4-amine

C10H16N4O2 — CID 103554894

IUPAC2,3-dimethyl-5-nitro-N-pent-4-en-2-ylimidazol-4-amine
SMILESC=CCC(C)Nc1c([N+](=O)[O-])nc(C)n1C
InChIInChI=1S/C10H16N4O2/c1-5-6-7(2)11-9-10(14(15)16)12-8(3)13(9)4/h5,7,11H,1,6H2,2-4H3
InChIKeyGKBLPRUULDJBJX-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.01
Rot. Bonds5

About 2,3-dimethyl-5-nitro-N-pent-4-en-2-ylimidazol-4-amine

2,3-dimethyl-5-nitro-N-pent-4-en-2-ylimidazol-4-amine (PubChem CID 103554894) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,3-dimethyl-5-nitro-N-pent-4-en-2-ylimidazol-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-5-nitro-N-pent-4-en-2-ylimidazol-4-amine
PubChem CID103554894
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2,3-dimethyl-5-nitro-N-pent-4-en-2-ylimidazol-4-amine
SMILESC=CCC(C)Nc1c([N+](=O)[O-])nc(C)n1C
InChIInChI=1S/C10H16N4O2/c1-5-6-7(2)11-9-10(14(15)16)12-8(3)13(9)4/h5,7,11H,1,6H2,2-4H3
InChIKeyGKBLPRUULDJBJX-UHFFFAOYSA-N
XLogP2.01
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-methoxy-3-methylbutan-2-yl)-2,3-dimethyl-5-nitroimidazol-4-amine
CID 113243945
2-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]propane-1,3-diol
CID 103696551
2,3-dimethyl-N-(4-methylpent-1-yn-3-yl)-5-nitroimidazol-4-amine
CID 114202644
2,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitroimidazol-4-amine
CID 103554791
2,3-dimethyl-N-[1-(4-methylphenyl)ethyl]-5-nitroimidazol-4-amine
CID 103554813
1-methyl-4-nitro-N-pent-4-en-2-ylpyrazol-3-amine
CID 103080103
3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-2-methylpropanoic acid
CID 103554595
N-[1-(furan-2-yl)ethyl]-2,3-dimethyl-5-nitroimidazol-4-amine
CID 49428433
3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-3-methylbutan-2-ol
CID 103554912
2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine
CID 103746170
2-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]acetate
CID 7200415
2,3-dimethyl-5-nitro-N-(1-thiophen-2-ylpropyl)imidazol-4-amine
CID 103554809

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-nitro-N-pent-4-en-2-ylimidazol-4-amine?
The IUPAC name of 2,3-dimethyl-5-nitro-N-pent-4-en-2-ylimidazol-4-amine (CID 103554894) is 2,3-dimethyl-5-nitro-N-pent-4-en-2-ylimidazol-4-amine.
What is the SMILES notation for 2,3-dimethyl-5-nitro-N-pent-4-en-2-ylimidazol-4-amine?
The canonical SMILES for 2,3-dimethyl-5-nitro-N-pent-4-en-2-ylimidazol-4-amine is C=CCC(C)Nc1c([N+](=O)[O-])nc(C)n1C.
What is the InChIKey of 2,3-dimethyl-5-nitro-N-pent-4-en-2-ylimidazol-4-amine?
The InChIKey is GKBLPRUULDJBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-5-6-7(2)11-9-10(14(15)16)12-8(3)13(9)4/h5,7,11H,1,6H2,2-4H3.
What are the key properties of 2,3-dimethyl-5-nitro-N-pent-4-en-2-ylimidazol-4-amine?
2,3-dimethyl-5-nitro-N-pent-4-en-2-ylimidazol-4-amine has a molecular weight of 224.26 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-nitro-N-pent-4-en-2-ylimidazol-4-amine is sourced from PubChem (CID 103554894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).