[1,3-dihydrotriazolo[4,5-b]pyridin-2-yloxy(dimethylamino)methylidene]-dimethylazanium

C10H17N6O+ — CID 146585736

IUPAC[1,3-dihydrotriazolo[4,5-b]pyridin-2-yloxy(dimethylamino)methylidene]-dimethylazanium
SMILESCN(C)C(ON1Nc2cccnc2N1)=[N+](C)C
InChIInChI=1S/C10H17N6O/c1-14(2)10(15(3)4)17-16-12-8-6-5-7-11-9(8)13-16/h5-7,12H,1-4H3,(H,11,13)/q+1
InChIKeySKCXNXKYYMIONV-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.17
Rot. Bonds1

About [1,3-dihydrotriazolo[4,5-b]pyridin-2-yloxy(dimethylamino)methylidene]-dimethylazanium

[1,3-dihydrotriazolo[4,5-b]pyridin-2-yloxy(dimethylamino)methylidene]-dimethylazanium (PubChem CID 146585736) has the molecular formula C10H17N6O+ and a molecular weight of 237.29 g/mol. Its IUPAC name is [1,3-dihydrotriazolo[4,5-b]pyridin-2-yloxy(dimethylamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[1,3-dihydrotriazolo[4,5-b]pyridin-2-yloxy(dimethylamino)methylidene]-dimethylazanium
PubChem CID146585736
Molecular FormulaC10H17N6O+
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC Name[1,3-dihydrotriazolo[4,5-b]pyridin-2-yloxy(dimethylamino)methylidene]-dimethylazanium
SMILESCN(C)C(ON1Nc2cccnc2N1)=[N+](C)C
InChIInChI=1S/C10H17N6O/c1-14(2)10(15(3)4)17-16-12-8-6-5-7-11-9(8)13-16/h5-7,12H,1-4H3,(H,11,13)/q+1
InChIKeySKCXNXKYYMIONV-UHFFFAOYSA-N
XLogP0.17
TPSA55.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1,3-dihydrotriazolo[4,5-b]pyridin-2-yloxy(dimethylamino)methylidene]-dimethylazanium?
The IUPAC name of [1,3-dihydrotriazolo[4,5-b]pyridin-2-yloxy(dimethylamino)methylidene]-dimethylazanium (CID 146585736) is [1,3-dihydrotriazolo[4,5-b]pyridin-2-yloxy(dimethylamino)methylidene]-dimethylazanium.
What is the SMILES notation for [1,3-dihydrotriazolo[4,5-b]pyridin-2-yloxy(dimethylamino)methylidene]-dimethylazanium?
The canonical SMILES for [1,3-dihydrotriazolo[4,5-b]pyridin-2-yloxy(dimethylamino)methylidene]-dimethylazanium is CN(C)C(ON1Nc2cccnc2N1)=[N+](C)C.
What is the InChIKey of [1,3-dihydrotriazolo[4,5-b]pyridin-2-yloxy(dimethylamino)methylidene]-dimethylazanium?
The InChIKey is SKCXNXKYYMIONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N6O/c1-14(2)10(15(3)4)17-16-12-8-6-5-7-11-9(8)13-16/h5-7,12H,1-4H3,(H,11,13)/q+1.
What are the key properties of [1,3-dihydrotriazolo[4,5-b]pyridin-2-yloxy(dimethylamino)methylidene]-dimethylazanium?
[1,3-dihydrotriazolo[4,5-b]pyridin-2-yloxy(dimethylamino)methylidene]-dimethylazanium has a molecular weight of 237.29 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dihydrotriazolo[4,5-b]pyridin-2-yloxy(dimethylamino)methylidene]-dimethylazanium is sourced from PubChem (CID 146585736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).