cyanoimino-(1,5-dimethyl-3-pyridin-2-ylpyrazol-4-yl)-oxidoazanium

C11H10N6O — CID 54582870

IUPACcyanoimino-(1,5-dimethyl-3-pyridin-2-ylpyrazol-4-yl)-oxidoazanium
SMILESCc1c(/[N+]([O-])=N/C#N)c(-c2ccccn2)nn1C
InChIInChI=1S/C11H10N6O/c1-8-11(17(18)14-7-12)10(15-16(8)2)9-5-3-4-6-13-9/h3-6H,1-2H3/b17-14-
InChIKeyRMOXGQYIJFXUBI-VKAVYKQESA-N
MW242.24 g/mol
LogP1.87
Rot. Bonds2

About cyanoimino-(1,5-dimethyl-3-pyridin-2-ylpyrazol-4-yl)-oxidoazanium

cyanoimino-(1,5-dimethyl-3-pyridin-2-ylpyrazol-4-yl)-oxidoazanium (PubChem CID 54582870) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is cyanoimino-(1,5-dimethyl-3-pyridin-2-ylpyrazol-4-yl)-oxidoazanium.

Molecular Properties

Compound Namecyanoimino-(1,5-dimethyl-3-pyridin-2-ylpyrazol-4-yl)-oxidoazanium
PubChem CID54582870
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Namecyanoimino-(1,5-dimethyl-3-pyridin-2-ylpyrazol-4-yl)-oxidoazanium
SMILESCc1c(/[N+]([O-])=N/C#N)c(-c2ccccn2)nn1C
InChIInChI=1S/C11H10N6O/c1-8-11(17(18)14-7-12)10(15-16(8)2)9-5-3-4-6-13-9/h3-6H,1-2H3/b17-14-
InChIKeyRMOXGQYIJFXUBI-VKAVYKQESA-N
XLogP1.87
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyanoimino-(1,5-dimethyl-3-pyridin-2-ylpyrazol-4-yl)-oxidoazanium?
The IUPAC name of cyanoimino-(1,5-dimethyl-3-pyridin-2-ylpyrazol-4-yl)-oxidoazanium (CID 54582870) is cyanoimino-(1,5-dimethyl-3-pyridin-2-ylpyrazol-4-yl)-oxidoazanium.
What is the SMILES notation for cyanoimino-(1,5-dimethyl-3-pyridin-2-ylpyrazol-4-yl)-oxidoazanium?
The canonical SMILES for cyanoimino-(1,5-dimethyl-3-pyridin-2-ylpyrazol-4-yl)-oxidoazanium is Cc1c(/[N+]([O-])=N/C#N)c(-c2ccccn2)nn1C.
What is the InChIKey of cyanoimino-(1,5-dimethyl-3-pyridin-2-ylpyrazol-4-yl)-oxidoazanium?
The InChIKey is RMOXGQYIJFXUBI-VKAVYKQESA-N. The full InChI is InChI=1S/C11H10N6O/c1-8-11(17(18)14-7-12)10(15-16(8)2)9-5-3-4-6-13-9/h3-6H,1-2H3/b17-14-.
What are the key properties of cyanoimino-(1,5-dimethyl-3-pyridin-2-ylpyrazol-4-yl)-oxidoazanium?
cyanoimino-(1,5-dimethyl-3-pyridin-2-ylpyrazol-4-yl)-oxidoazanium has a molecular weight of 242.24 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyanoimino-(1,5-dimethyl-3-pyridin-2-ylpyrazol-4-yl)-oxidoazanium is sourced from PubChem (CID 54582870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).