(7-methyl-1-nitroimidazo[1,5-a]pyridin-3-yl)methanamine

C9H10N4O2 — CID 83882695

IUPAC(7-methyl-1-nitroimidazo[1,5-a]pyridin-3-yl)methanamine
SMILESCc1ccn2c(CN)nc([N+](=O)[O-])c2c1
InChIInChI=1S/C9H10N4O2/c1-6-2-3-12-7(4-6)9(13(14)15)11-8(12)5-10/h2-4H,5,10H2,1H3
InChIKeyOWYVBBIWNHMHHK-UHFFFAOYSA-N
MW206.21 g/mol
LogP1.01
Rot. Bonds2

About (7-methyl-1-nitroimidazo[1,5-a]pyridin-3-yl)methanamine

(7-methyl-1-nitroimidazo[1,5-a]pyridin-3-yl)methanamine (PubChem CID 83882695) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is (7-methyl-1-nitroimidazo[1,5-a]pyridin-3-yl)methanamine.

Molecular Properties

Compound Name(7-methyl-1-nitroimidazo[1,5-a]pyridin-3-yl)methanamine
PubChem CID83882695
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name(7-methyl-1-nitroimidazo[1,5-a]pyridin-3-yl)methanamine
SMILESCc1ccn2c(CN)nc([N+](=O)[O-])c2c1
InChIInChI=1S/C9H10N4O2/c1-6-2-3-12-7(4-6)9(13(14)15)11-8(12)5-10/h2-4H,5,10H2,1H3
InChIKeyOWYVBBIWNHMHHK-UHFFFAOYSA-N
XLogP1.01
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 51.01
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

7-methyl-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde
CID 83882180
3-ethyl-1-nitroimidazo[1,5-a]pyridine-7-carbaldehyde
CID 83888534
1-(1-nitroimidazo[1,5-a]pyridin-3-yl)propan-2-amine
CID 83889324
7-chloro-1-nitroimidazo[1,5-a]pyridin-3-amine
CID 83885850
(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
CID 55266770
3-methyl-7-nitropyrido[1,2-a]benzimidazole
CID 2972009
2-(1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 83889798
2-chloro-7-methyl-3-nitroimidazo[1,2-a]pyridine
CID 28945252
2-[(E)-but-2-enyl]-8-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 101103833
7-chloro-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde
CID 83892272
7-methyl-3-(methylaminomethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84739779
2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 79002399

Frequently Asked Questions

What is the IUPAC name of (7-methyl-1-nitroimidazo[1,5-a]pyridin-3-yl)methanamine?
The IUPAC name of (7-methyl-1-nitroimidazo[1,5-a]pyridin-3-yl)methanamine (CID 83882695) is (7-methyl-1-nitroimidazo[1,5-a]pyridin-3-yl)methanamine.
What is the SMILES notation for (7-methyl-1-nitroimidazo[1,5-a]pyridin-3-yl)methanamine?
The canonical SMILES for (7-methyl-1-nitroimidazo[1,5-a]pyridin-3-yl)methanamine is Cc1ccn2c(CN)nc([N+](=O)[O-])c2c1.
What is the InChIKey of (7-methyl-1-nitroimidazo[1,5-a]pyridin-3-yl)methanamine?
The InChIKey is OWYVBBIWNHMHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-6-2-3-12-7(4-6)9(13(14)15)11-8(12)5-10/h2-4H,5,10H2,1H3.
What are the key properties of (7-methyl-1-nitroimidazo[1,5-a]pyridin-3-yl)methanamine?
(7-methyl-1-nitroimidazo[1,5-a]pyridin-3-yl)methanamine has a molecular weight of 206.21 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-1-nitroimidazo[1,5-a]pyridin-3-yl)methanamine is sourced from PubChem (CID 83882695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).