amino-(3-methyl-4-pyridin-4-yloxyphenyl)-oxoazanium

C12H12N3O2+ — CID 173128568

IUPACamino-(3-methyl-4-pyridin-4-yloxyphenyl)-oxoazanium
SMILESCc1cc([N+](N)=O)ccc1Oc1ccncc1
InChIInChI=1S/C12H12N3O2/c1-9-8-10(15(13)16)2-3-12(9)17-11-4-6-14-7-5-11/h2-8H,1H3,(H2,13,16)/q+1
InChIKeyFIUNKPMKXVCIII-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.47
Rot. Bonds3

About amino-(3-methyl-4-pyridin-4-yloxyphenyl)-oxoazanium

amino-(3-methyl-4-pyridin-4-yloxyphenyl)-oxoazanium (PubChem CID 173128568) has the molecular formula C12H12N3O2+ and a molecular weight of 230.25 g/mol. Its IUPAC name is amino-(3-methyl-4-pyridin-4-yloxyphenyl)-oxoazanium.

Molecular Properties

Compound Nameamino-(3-methyl-4-pyridin-4-yloxyphenyl)-oxoazanium
PubChem CID173128568
Molecular FormulaC12H12N3O2+
Molecular Weight230.25 g/mol
Exact Mass230.09
IUPAC Nameamino-(3-methyl-4-pyridin-4-yloxyphenyl)-oxoazanium
SMILESCc1cc([N+](N)=O)ccc1Oc1ccncc1
InChIInChI=1S/C12H12N3O2/c1-9-8-10(15(13)16)2-3-12(9)17-11-4-6-14-7-5-11/h2-8H,1H3,(H2,13,16)/q+1
InChIKeyFIUNKPMKXVCIII-UHFFFAOYSA-N
XLogP2.47
TPSA68.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

amino-oxo-(4-pyridin-4-yloxyphenyl)azanium
CID 90945508
2-fluoro-5-methyl-4-pyridin-4-yloxyaniline
CID 160574792
amino-[4-(2-methyl-4-nitrophenoxy)-2-pyridinyl]carbamic acid
CID 174556870
2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine
CID 155663614
5-fluoro-2-methyl-4-pyridin-4-yloxyaniline
CID 114417665
[4-(2-methyl-4-nitrophenoxy)phenyl]carbamic acid
CID 69143527
[3-methyl-4-(4-nitrophenoxy)phenyl]carbamic acid
CID 69145418
6-(2-methyl-4-nitrophenoxy)pyrazin-2-amine
CID 113369611
3-methyl-5-(2-methyl-4-nitrophenoxy)phenol
CID 107680644
N,N-dimethyl-5-(2-methyl-4-nitrophenoxy)pyridin-2-amine
CID 167459315
[5-(2-methyl-4-nitrophenoxy)-2-pyridinyl]methanol
CID 69259295
3-amino-4-pyridin-4-yloxybenzonitrile
CID 61388507

Frequently Asked Questions

What is the IUPAC name of amino-(3-methyl-4-pyridin-4-yloxyphenyl)-oxoazanium?
The IUPAC name of amino-(3-methyl-4-pyridin-4-yloxyphenyl)-oxoazanium (CID 173128568) is amino-(3-methyl-4-pyridin-4-yloxyphenyl)-oxoazanium.
What is the SMILES notation for amino-(3-methyl-4-pyridin-4-yloxyphenyl)-oxoazanium?
The canonical SMILES for amino-(3-methyl-4-pyridin-4-yloxyphenyl)-oxoazanium is Cc1cc([N+](N)=O)ccc1Oc1ccncc1.
What is the InChIKey of amino-(3-methyl-4-pyridin-4-yloxyphenyl)-oxoazanium?
The InChIKey is FIUNKPMKXVCIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N3O2/c1-9-8-10(15(13)16)2-3-12(9)17-11-4-6-14-7-5-11/h2-8H,1H3,(H2,13,16)/q+1.
What are the key properties of amino-(3-methyl-4-pyridin-4-yloxyphenyl)-oxoazanium?
amino-(3-methyl-4-pyridin-4-yloxyphenyl)-oxoazanium has a molecular weight of 230.25 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(3-methyl-4-pyridin-4-yloxyphenyl)-oxoazanium is sourced from PubChem (CID 173128568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).