2,5-dinitroimidazol-1-amine

C3H3N5O4 — CID 102232267

IUPAC2,5-dinitroimidazol-1-amine
SMILESNn1c([N+](=O)[O-])cnc1[N+](=O)[O-]
InChIInChI=1S/C3H3N5O4/c4-6-2(7(9)10)1-5-3(6)8(11)12/h1H,4H2
InChIKeyARCNMAAMKDTZGE-UHFFFAOYSA-N
MW173.09 g/mol
LogP-0.59
Rot. Bonds2

About 2,5-dinitroimidazol-1-amine

2,5-dinitroimidazol-1-amine (PubChem CID 102232267) has the molecular formula C3H3N5O4 and a molecular weight of 173.09 g/mol. Its IUPAC name is 2,5-dinitroimidazol-1-amine.

Molecular Properties

Compound Name2,5-dinitroimidazol-1-amine
PubChem CID102232267
Molecular FormulaC3H3N5O4
Molecular Weight173.09 g/mol
Exact Mass173.02
IUPAC Name2,5-dinitroimidazol-1-amine
SMILESNn1c([N+](=O)[O-])cnc1[N+](=O)[O-]
InChIInChI=1S/C3H3N5O4/c4-6-2(7(9)10)1-5-3(6)8(11)12/h1H,4H2
InChIKeyARCNMAAMKDTZGE-UHFFFAOYSA-N
XLogP-0.59
TPSA130.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.09
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

1-chloro-2-methyl-5-nitroimidazole
CID 174540208
2,4-dinitroimidazole-1,5-diamine
CID 132533422
2-methyl-5-nitro-1-(trifluoromethyl)imidazole
CID 141070667
1-(deuteriomethyl)-2-methyl-5-nitroimidazole
CID 169225400
2-methyl-1-[2-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]ethyl]-5-nitroimidazole
CID 13376192
1-methyl-5-nitroimidazole-2-carbonyl bromide
CID 54569789
ethane;2-methyl-5-nitro-1-propan-2-ylimidazole
CID 143610883
2-(iodomethyl)-1-methyl-5-nitroimidazole
CID 54503644
(1S)-1-(2-methyl-5-nitroimidazol-1-yl)ethanol
CID 97049554
3-nitroimidazo[1,2-b]pyridazine
CID 16740706
1-methyl-5-nitroimidazole-2-carboxylic acid;hydrochloride
CID 70636535
1-(2-methyl-5-nitroimidazol-1-yl)ethanol
CID 22622770

Frequently Asked Questions

What is the IUPAC name of 2,5-dinitroimidazol-1-amine?
The IUPAC name of 2,5-dinitroimidazol-1-amine (CID 102232267) is 2,5-dinitroimidazol-1-amine.
What is the SMILES notation for 2,5-dinitroimidazol-1-amine?
The canonical SMILES for 2,5-dinitroimidazol-1-amine is Nn1c([N+](=O)[O-])cnc1[N+](=O)[O-].
What is the InChIKey of 2,5-dinitroimidazol-1-amine?
The InChIKey is ARCNMAAMKDTZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N5O4/c4-6-2(7(9)10)1-5-3(6)8(11)12/h1H,4H2.
What are the key properties of 2,5-dinitroimidazol-1-amine?
2,5-dinitroimidazol-1-amine has a molecular weight of 173.09 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dinitroimidazol-1-amine is sourced from PubChem (CID 102232267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).