3-nitro-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine

C10H12N4O2 — CID 11608238

IUPAC3-nitro-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine
SMILESCC(C)Nc1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C10H12N4O2/c1-7(2)11-9-10(14(15)16)13-6-4-3-5-8(13)12-9/h3-7,11H,1-2H3
InChIKeyFELKWCNZOXAFHN-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.06
Rot. Bonds3

About 3-nitro-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine

3-nitro-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine (PubChem CID 11608238) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-nitro-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name3-nitro-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine
PubChem CID11608238
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name3-nitro-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine
SMILESCC(C)Nc1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C10H12N4O2/c1-7(2)11-9-10(14(15)16)13-6-4-3-5-8(13)12-9/h3-7,11H,1-2H3
InChIKeyFELKWCNZOXAFHN-UHFFFAOYSA-N
XLogP2.06
TPSA72.47 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 ≤ 52.06
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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Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 3-nitro-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine (CID 11608238) is 3-nitro-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 3-nitro-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 3-nitro-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine is CC(C)Nc1nc2ccccn2c1[N+](=O)[O-].
What is the InChIKey of 3-nitro-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine?
The InChIKey is FELKWCNZOXAFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-7(2)11-9-10(14(15)16)13-6-4-3-5-8(13)12-9/h3-7,11H,1-2H3.
What are the key properties of 3-nitro-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine?
3-nitro-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine has a molecular weight of 220.23 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 11608238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).