cyanoimino-[1,5-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)pyrazol-4-yl]-oxidoazanium

C10H10N6O2 — CID 54586770

IUPACcyanoimino-[1,5-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)pyrazol-4-yl]-oxidoazanium
SMILESCc1cc(-c2nn(C)c(C)c2/[N+]([O-])=N/C#N)on1
InChIInChI=1S/C10H10N6O2/c1-6-4-8(18-14-6)9-10(16(17)12-5-11)7(2)15(3)13-9/h4H,1-3H3/b16-12-
InChIKeyOVNPHYXNWCPWGE-VBKFSLOCSA-N
MW246.23 g/mol
LogP1.77
Rot. Bonds2

About cyanoimino-[1,5-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)pyrazol-4-yl]-oxidoazanium

cyanoimino-[1,5-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)pyrazol-4-yl]-oxidoazanium (PubChem CID 54586770) has the molecular formula C10H10N6O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is cyanoimino-[1,5-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)pyrazol-4-yl]-oxidoazanium.

Molecular Properties

Compound Namecyanoimino-[1,5-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)pyrazol-4-yl]-oxidoazanium
PubChem CID54586770
Molecular FormulaC10H10N6O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Namecyanoimino-[1,5-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)pyrazol-4-yl]-oxidoazanium
SMILESCc1cc(-c2nn(C)c(C)c2/[N+]([O-])=N/C#N)on1
InChIInChI=1S/C10H10N6O2/c1-6-4-8(18-14-6)9-10(16(17)12-5-11)7(2)15(3)13-9/h4H,1-3H3/b16-12-
InChIKeyOVNPHYXNWCPWGE-VBKFSLOCSA-N
XLogP1.77
TPSA106.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}

Analyze cyanoimino-[1,5-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)pyrazol-4-yl]-oxidoazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyanoimino-[1,5-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)pyrazol-4-yl]-oxidoazanium?
The IUPAC name of cyanoimino-[1,5-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)pyrazol-4-yl]-oxidoazanium (CID 54586770) is cyanoimino-[1,5-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)pyrazol-4-yl]-oxidoazanium.
What is the SMILES notation for cyanoimino-[1,5-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)pyrazol-4-yl]-oxidoazanium?
The canonical SMILES for cyanoimino-[1,5-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)pyrazol-4-yl]-oxidoazanium is Cc1cc(-c2nn(C)c(C)c2/[N+]([O-])=N/C#N)on1.
What is the InChIKey of cyanoimino-[1,5-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)pyrazol-4-yl]-oxidoazanium?
The InChIKey is OVNPHYXNWCPWGE-VBKFSLOCSA-N. The full InChI is InChI=1S/C10H10N6O2/c1-6-4-8(18-14-6)9-10(16(17)12-5-11)7(2)15(3)13-9/h4H,1-3H3/b16-12-.
What are the key properties of cyanoimino-[1,5-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)pyrazol-4-yl]-oxidoazanium?
cyanoimino-[1,5-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)pyrazol-4-yl]-oxidoazanium has a molecular weight of 246.23 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyanoimino-[1,5-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)pyrazol-4-yl]-oxidoazanium is sourced from PubChem (CID 54586770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).