CID 23403127

C4H6N5Y+2 — CID 23403127

IUPAC—
SMILESC/N=N/c1nn[c-]n1C.[Y+3]
InChIInChI=1S/C4H6N5.Y/c1-5-7-4-8-6-3-9(4)2;/h1-2H3;/q-1;+3/b7-5+;
InChIKeyIOFVDPDGWHHSSL-GZOLSCHFSA-N
MW213.03 g/mol
LogP0.33
Rot. Bonds1

About CID 23403127

CID 23403127 (PubChem CID 23403127) has the molecular formula C4H6N5Y+2 and a molecular weight of 213.03 g/mol.

Molecular Properties

Compound NameCID 23403127
PubChem CID23403127
Molecular FormulaC4H6N5Y+2
Molecular Weight213.03 g/mol
Exact Mass212.97
IUPAC Name—
SMILESC/N=N/c1nn[c-]n1C.[Y+3]
InChIInChI=1S/C4H6N5.Y/c1-5-7-4-8-6-3-9(4)2;/h1-2H3;/q-1;+3/b7-5+;
InChIKeyIOFVDPDGWHHSSL-GZOLSCHFSA-N
XLogP0.33
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.03
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 23403127?
The IUPAC name of CID 23403127 (CID 23403127) is not available.
What is the SMILES notation for CID 23403127?
The canonical SMILES for CID 23403127 is C/N=N/c1nn[c-]n1C.[Y+3].
What is the InChIKey of CID 23403127?
The InChIKey is IOFVDPDGWHHSSL-GZOLSCHFSA-N. The full InChI is InChI=1S/C4H6N5.Y/c1-5-7-4-8-6-3-9(4)2;/h1-2H3;/q-1;+3/b7-5+;.
What are the key properties of CID 23403127?
CID 23403127 has a molecular weight of 213.03 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23403127 is sourced from PubChem (CID 23403127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).