1-(1-nitroimidazo[1,5-a]pyridin-3-yl)propan-2-amine

C10H12N4O2 — CID 83889324

IUPAC1-(1-nitroimidazo[1,5-a]pyridin-3-yl)propan-2-amine
SMILESCC(N)Cc1nc([N+](=O)[O-])c2ccccn12
InChIInChI=1S/C10H12N4O2/c1-7(11)6-9-12-10(14(15)16)8-4-2-3-5-13(8)9/h2-5,7H,6,11H2,1H3
InChIKeyLMYOXUDFEHUWEH-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.13
Rot. Bonds3

About 1-(1-nitroimidazo[1,5-a]pyridin-3-yl)propan-2-amine

1-(1-nitroimidazo[1,5-a]pyridin-3-yl)propan-2-amine (PubChem CID 83889324) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-(1-nitroimidazo[1,5-a]pyridin-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-nitroimidazo[1,5-a]pyridin-3-yl)propan-2-amine
PubChem CID83889324
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name1-(1-nitroimidazo[1,5-a]pyridin-3-yl)propan-2-amine
SMILESCC(N)Cc1nc([N+](=O)[O-])c2ccccn12
InChIInChI=1S/C10H12N4O2/c1-7(11)6-9-12-10(14(15)16)8-4-2-3-5-13(8)9/h2-5,7H,6,11H2,1H3
InChIKeyLMYOXUDFEHUWEH-UHFFFAOYSA-N
XLogP1.13
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 83889798
(7-methyl-1-nitroimidazo[1,5-a]pyridin-3-yl)methanamine
CID 83882695
1-(3-ethylimidazo[1,5-a]pyridin-1-yl)ethanamine
CID 83865003
1-(3-phenylimidazo[1,5-a]pyridin-1-yl)propan-2-amine
CID 82021135
methyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117252766
3-(3-amino-2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984013
3-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]propan-1-amine
CID 94231471
1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
CID 43171099
3-ethyl-1-nitroimidazo[1,5-a]pyridine-7-carbaldehyde
CID 83888534
N-methyl-1-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]methanamine
CID 28797001
[3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 110427297
3-ethyl-1-propan-2-ylimidazo[1,5-a]pyridine
CID 171543739

Frequently Asked Questions

What is the IUPAC name of 1-(1-nitroimidazo[1,5-a]pyridin-3-yl)propan-2-amine?
The IUPAC name of 1-(1-nitroimidazo[1,5-a]pyridin-3-yl)propan-2-amine (CID 83889324) is 1-(1-nitroimidazo[1,5-a]pyridin-3-yl)propan-2-amine.
What is the SMILES notation for 1-(1-nitroimidazo[1,5-a]pyridin-3-yl)propan-2-amine?
The canonical SMILES for 1-(1-nitroimidazo[1,5-a]pyridin-3-yl)propan-2-amine is CC(N)Cc1nc([N+](=O)[O-])c2ccccn12.
What is the InChIKey of 1-(1-nitroimidazo[1,5-a]pyridin-3-yl)propan-2-amine?
The InChIKey is LMYOXUDFEHUWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-7(11)6-9-12-10(14(15)16)8-4-2-3-5-13(8)9/h2-5,7H,6,11H2,1H3.
What are the key properties of 1-(1-nitroimidazo[1,5-a]pyridin-3-yl)propan-2-amine?
1-(1-nitroimidazo[1,5-a]pyridin-3-yl)propan-2-amine has a molecular weight of 220.23 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-nitroimidazo[1,5-a]pyridin-3-yl)propan-2-amine is sourced from PubChem (CID 83889324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).