1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-amine

C10H9N7O2 — CID 79542495

IUPAC1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-amine
SMILESNc1cn(Cc2nc3ccccn3c2[N+](=O)[O-])nn1
InChIInChI=1S/C10H9N7O2/c11-8-6-15(14-13-8)5-7-10(17(18)19)16-4-2-1-3-9(16)12-7/h1-4,6H,5,11H2
InChIKeyGXHFZJBOGWWRGF-UHFFFAOYSA-N
MW259.23 g/mol
LogP0.46
Rot. Bonds3

About 1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-amine

1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-amine (PubChem CID 79542495) has the molecular formula C10H9N7O2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-amine
PubChem CID79542495
Molecular FormulaC10H9N7O2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-amine
SMILESNc1cn(Cc2nc3ccccn3c2[N+](=O)[O-])nn1
InChIInChI=1S/C10H9N7O2/c11-8-6-15(14-13-8)5-7-10(17(18)19)16-4-2-1-3-9(16)12-7/h1-4,6H,5,11H2
InChIKeyGXHFZJBOGWWRGF-UHFFFAOYSA-N
XLogP0.46
TPSA117.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methoxy]aniline
CID 61036118
[1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 62013767
1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43442018
3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid
CID 43466370
1-[methyl-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]amino]propan-2-ol
CID 62334856
5-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-amine
CID 71388944
2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid
CID 43352455
1-[(2-methyl-3-nitrophenyl)methyl]triazol-4-amine
CID 79542688
diethyl 2-(3-nitroimidazo[1,2-a]pyridin-2-yl)propanedioate
CID 71388940
3-nitro-2-(1-propan-2-yltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridine
CID 18095953
2-ethylimidazo[1,2-a]pyridin-3-amine
CID 63617913
N-(3,5-dimethoxyphenyl)-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095071

Frequently Asked Questions

What is the IUPAC name of 1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-amine?
The IUPAC name of 1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-amine (CID 79542495) is 1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-amine.
What is the SMILES notation for 1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-amine?
The canonical SMILES for 1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-amine is Nc1cn(Cc2nc3ccccn3c2[N+](=O)[O-])nn1.
What is the InChIKey of 1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-amine?
The InChIKey is GXHFZJBOGWWRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7O2/c11-8-6-15(14-13-8)5-7-10(17(18)19)16-4-2-1-3-9(16)12-7/h1-4,6H,5,11H2.
What are the key properties of 1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-amine?
1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-amine has a molecular weight of 259.23 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79542495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).