N-methyl-1-(3-methyl-1-nitroimidazo[1,5-a]pyridin-6-yl)methanamine

C10H12N4O2 — CID 83889314

IUPACN-methyl-1-(3-methyl-1-nitroimidazo[1,5-a]pyridin-6-yl)methanamine
SMILESCNCc1ccc2c([N+](=O)[O-])nc(C)n2c1
InChIInChI=1S/C10H12N4O2/c1-7-12-10(14(15)16)9-4-3-8(5-11-2)6-13(7)9/h3-4,6,11H,5H2,1-2H3
InChIKeyRIEMWECOVIIVHW-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.27
Rot. Bonds3

About N-methyl-1-(3-methyl-1-nitroimidazo[1,5-a]pyridin-6-yl)methanamine

N-methyl-1-(3-methyl-1-nitroimidazo[1,5-a]pyridin-6-yl)methanamine (PubChem CID 83889314) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-1-nitroimidazo[1,5-a]pyridin-6-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-1-nitroimidazo[1,5-a]pyridin-6-yl)methanamine
PubChem CID83889314
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN-methyl-1-(3-methyl-1-nitroimidazo[1,5-a]pyridin-6-yl)methanamine
SMILESCNCc1ccc2c([N+](=O)[O-])nc(C)n2c1
InChIInChI=1S/C10H12N4O2/c1-7-12-10(14(15)16)9-4-3-8(5-11-2)6-13(7)9/h3-4,6,11H,5H2,1-2H3
InChIKeyRIEMWECOVIIVHW-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
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

1-[3-(2,3-dimethyl-5-nitroimidazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 106486373
3-methyl-6-nitroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84740352
1-(6-bromo-3-methylimidazo[1,5-a]pyridin-1-yl)-N-methylmethanamine
CID 83867420
3-methyl-4-[(4-nitrophenyl)methylamino]-1H-1,2,4-triazole-5-thione
CID 4725511
1-[4-(1,2-dimethylimidazol-4-yl)phenyl]-N-methylmethanamine
CID 59597770
1-(3-bromo-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methylmethanamine
CID 83867795
1-[(4-methylphenyl)methyl]-3-nitropyrazole-4-carbonitrile
CID 2981508
N-methyl-1-[1-(2-methyl-4-nitrophenyl)triazol-4-yl]methanamine
CID 66205884
N-methyl-1-(1-methylindazol-5-yl)methanamine
CID 82598913
N-methyl-1-[1-[(2-methyl-3-nitrophenyl)methyl]pyrrol-3-yl]methanamine
CID 66406715
N-methyl-1-[4-[(1-methylpyrazol-4-yl)methoxy]-3-nitrophenyl]methanamine
CID 60881810
2-(3-methyl-1-nitroimidazo[1,5-a]pyridin-5-yl)acetic acid
CID 83896390

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-1-nitroimidazo[1,5-a]pyridin-6-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methyl-1-nitroimidazo[1,5-a]pyridin-6-yl)methanamine (CID 83889314) is N-methyl-1-(3-methyl-1-nitroimidazo[1,5-a]pyridin-6-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methyl-1-nitroimidazo[1,5-a]pyridin-6-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methyl-1-nitroimidazo[1,5-a]pyridin-6-yl)methanamine is CNCc1ccc2c([N+](=O)[O-])nc(C)n2c1.
What is the InChIKey of N-methyl-1-(3-methyl-1-nitroimidazo[1,5-a]pyridin-6-yl)methanamine?
The InChIKey is RIEMWECOVIIVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-7-12-10(14(15)16)9-4-3-8(5-11-2)6-13(7)9/h3-4,6,11H,5H2,1-2H3.
What are the key properties of N-methyl-1-(3-methyl-1-nitroimidazo[1,5-a]pyridin-6-yl)methanamine?
N-methyl-1-(3-methyl-1-nitroimidazo[1,5-a]pyridin-6-yl)methanamine has a molecular weight of 220.23 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-1-nitroimidazo[1,5-a]pyridin-6-yl)methanamine is sourced from PubChem (CID 83889314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).