3-cyclopropyl-1-nitroimidazo[1,5-a]pyridin-8-amine

C10H10N4O2 — CID 83836399

IUPAC3-cyclopropyl-1-nitroimidazo[1,5-a]pyridin-8-amine
SMILESNc1cccn2c(C3CC3)nc([N+](=O)[O-])c12
InChIInChI=1S/C10H10N4O2/c11-7-2-1-5-13-8(7)10(14(15)16)12-9(13)6-3-4-6/h1-2,5-6H,3-4,11H2
InChIKeyNXTCOACBLMXJSV-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.70
Rot. Bonds2

About 3-cyclopropyl-1-nitroimidazo[1,5-a]pyridin-8-amine

3-cyclopropyl-1-nitroimidazo[1,5-a]pyridin-8-amine (PubChem CID 83836399) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 3-cyclopropyl-1-nitroimidazo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-nitroimidazo[1,5-a]pyridin-8-amine
PubChem CID83836399
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name3-cyclopropyl-1-nitroimidazo[1,5-a]pyridin-8-amine
SMILESNc1cccn2c(C3CC3)nc([N+](=O)[O-])c12
InChIInChI=1S/C10H10N4O2/c11-7-2-1-5-13-8(7)10(14(15)16)12-9(13)6-3-4-6/h1-2,5-6H,3-4,11H2
InChIKeyNXTCOACBLMXJSV-UHFFFAOYSA-N
XLogP1.70
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.70
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-cyclopropyl-1-nitroimidazo[1,5-a]pyridin-8-amine?
The IUPAC name of 3-cyclopropyl-1-nitroimidazo[1,5-a]pyridin-8-amine (CID 83836399) is 3-cyclopropyl-1-nitroimidazo[1,5-a]pyridin-8-amine.
What is the SMILES notation for 3-cyclopropyl-1-nitroimidazo[1,5-a]pyridin-8-amine?
The canonical SMILES for 3-cyclopropyl-1-nitroimidazo[1,5-a]pyridin-8-amine is Nc1cccn2c(C3CC3)nc([N+](=O)[O-])c12.
What is the InChIKey of 3-cyclopropyl-1-nitroimidazo[1,5-a]pyridin-8-amine?
The InChIKey is NXTCOACBLMXJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-7-2-1-5-13-8(7)10(14(15)16)12-9(13)6-3-4-6/h1-2,5-6H,3-4,11H2.
What are the key properties of 3-cyclopropyl-1-nitroimidazo[1,5-a]pyridin-8-amine?
3-cyclopropyl-1-nitroimidazo[1,5-a]pyridin-8-amine has a molecular weight of 218.22 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-nitroimidazo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 83836399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).