(1-nitroimidazo[1,5-a]pyridin-5-yl)methanamine

C8H8N4O2 — CID 83877928

IUPAC(1-nitroimidazo[1,5-a]pyridin-5-yl)methanamine
SMILESNCc1cccc2c([N+](=O)[O-])ncn12
InChIInChI=1S/C8H8N4O2/c9-4-6-2-1-3-7-8(12(13)14)10-5-11(6)7/h1-3,5H,4,9H2
InChIKeyKWMOVHOOKXQTIK-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.70
Rot. Bonds2

About (1-nitroimidazo[1,5-a]pyridin-5-yl)methanamine

(1-nitroimidazo[1,5-a]pyridin-5-yl)methanamine (PubChem CID 83877928) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is (1-nitroimidazo[1,5-a]pyridin-5-yl)methanamine.

Molecular Properties

Compound Name(1-nitroimidazo[1,5-a]pyridin-5-yl)methanamine
PubChem CID83877928
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name(1-nitroimidazo[1,5-a]pyridin-5-yl)methanamine
SMILESNCc1cccc2c([N+](=O)[O-])ncn12
InChIInChI=1S/C8H8N4O2/c9-4-6-2-1-3-7-8(12(13)14)10-5-11(6)7/h1-3,5H,4,9H2
InChIKeyKWMOVHOOKXQTIK-UHFFFAOYSA-N
XLogP0.70
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.70
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 (1-nitroimidazo[1,5-a]pyridin-5-yl)methanamine?
The IUPAC name of (1-nitroimidazo[1,5-a]pyridin-5-yl)methanamine (CID 83877928) is (1-nitroimidazo[1,5-a]pyridin-5-yl)methanamine.
What is the SMILES notation for (1-nitroimidazo[1,5-a]pyridin-5-yl)methanamine?
The canonical SMILES for (1-nitroimidazo[1,5-a]pyridin-5-yl)methanamine is NCc1cccc2c([N+](=O)[O-])ncn12.
What is the InChIKey of (1-nitroimidazo[1,5-a]pyridin-5-yl)methanamine?
The InChIKey is KWMOVHOOKXQTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c9-4-6-2-1-3-7-8(12(13)14)10-5-11(6)7/h1-3,5H,4,9H2.
What are the key properties of (1-nitroimidazo[1,5-a]pyridin-5-yl)methanamine?
(1-nitroimidazo[1,5-a]pyridin-5-yl)methanamine has a molecular weight of 192.18 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-nitroimidazo[1,5-a]pyridin-5-yl)methanamine is sourced from PubChem (CID 83877928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).