cyanoimino-oxido-(1-phenylpyrazol-4-yl)azanium

C10H7N5O — CID 3063795

IUPACcyanoimino-oxido-(1-phenylpyrazol-4-yl)azanium
SMILESN#C/N=[N+](\[O-])c1cnn(-c2ccccc2)c1
InChIInChI=1S/C10H7N5O/c11-8-13-15(16)10-6-12-14(7-10)9-4-2-1-3-5-9/h1-7H/b15-13-
InChIKeyAKLLTGCBBZLPQX-SQFISAMPSA-N
MW213.20 g/mol
LogP1.95
Rot. Bonds2

About cyanoimino-oxido-(1-phenylpyrazol-4-yl)azanium

cyanoimino-oxido-(1-phenylpyrazol-4-yl)azanium (PubChem CID 3063795) has the molecular formula C10H7N5O and a molecular weight of 213.20 g/mol. Its IUPAC name is cyanoimino-oxido-(1-phenylpyrazol-4-yl)azanium.

Molecular Properties

Compound Namecyanoimino-oxido-(1-phenylpyrazol-4-yl)azanium
PubChem CID3063795
Molecular FormulaC10H7N5O
Molecular Weight213.20 g/mol
Exact Mass213.07
IUPAC Namecyanoimino-oxido-(1-phenylpyrazol-4-yl)azanium
SMILESN#C/N=[N+](\[O-])c1cnn(-c2ccccc2)c1
InChIInChI=1S/C10H7N5O/c11-8-13-15(16)10-6-12-14(7-10)9-4-2-1-3-5-9/h1-7H/b15-13-
InChIKeyAKLLTGCBBZLPQX-SQFISAMPSA-N
XLogP1.95
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-oxido-(1-phenylpyrazol-4-yl)azanium?
The IUPAC name of cyanoimino-oxido-(1-phenylpyrazol-4-yl)azanium (CID 3063795) is cyanoimino-oxido-(1-phenylpyrazol-4-yl)azanium.
What is the SMILES notation for cyanoimino-oxido-(1-phenylpyrazol-4-yl)azanium?
The canonical SMILES for cyanoimino-oxido-(1-phenylpyrazol-4-yl)azanium is N#C/N=[N+](\[O-])c1cnn(-c2ccccc2)c1.
What is the InChIKey of cyanoimino-oxido-(1-phenylpyrazol-4-yl)azanium?
The InChIKey is AKLLTGCBBZLPQX-SQFISAMPSA-N. The full InChI is InChI=1S/C10H7N5O/c11-8-13-15(16)10-6-12-14(7-10)9-4-2-1-3-5-9/h1-7H/b15-13-.
What are the key properties of cyanoimino-oxido-(1-phenylpyrazol-4-yl)azanium?
cyanoimino-oxido-(1-phenylpyrazol-4-yl)azanium has a molecular weight of 213.20 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyanoimino-oxido-(1-phenylpyrazol-4-yl)azanium is sourced from PubChem (CID 3063795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).