CID 171039683

H2CsN3 — CID 171039683

IUPAC—
SMILES[Cs+].[H-].[N-]=[N+]=N
InChIInChI=1S/Cs.HN3.H/c;1-3-2;/h;1H;/q+1;;-1
InChIKeySZTQQZIMORUFLE-UHFFFAOYSA-N
MW176.94 g/mol
LogP-2.01
Rot. Bonds

About CID 171039683

CID 171039683 (PubChem CID 171039683) has the molecular formula H2CsN3 and a molecular weight of 176.94 g/mol.

Molecular Properties

Compound NameCID 171039683
PubChem CID171039683
Molecular FormulaH2CsN3
Molecular Weight176.94 g/mol
Exact Mass176.93
IUPAC Name—
SMILES[Cs+].[H-].[N-]=[N+]=N
InChIInChI=1S/Cs.HN3.H/c;1-3-2;/h;1H;/q+1;;-1
InChIKeySZTQQZIMORUFLE-UHFFFAOYSA-N
XLogP-2.01
TPSA60.25 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.94
LogP ≤ 5-2.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 171039683?
The IUPAC name of CID 171039683 (CID 171039683) is not available.
What is the SMILES notation for CID 171039683?
The canonical SMILES for CID 171039683 is [Cs+].[H-].[N-]=[N+]=N.
What is the InChIKey of CID 171039683?
The InChIKey is SZTQQZIMORUFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/Cs.HN3.H/c;1-3-2;/h;1H;/q+1;;-1.
What are the key properties of CID 171039683?
CID 171039683 has a molecular weight of 176.94 g/mol, XLogP of -2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171039683 is sourced from PubChem (CID 171039683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).