CID 139212542

C2H3N3 — CID 139212542

IUPAC—
SMILESC#C.[N-]=[N+]=N
InChIInChI=1S/C2H2.HN3/c1-2;1-3-2/h1-2H;1H
InChIKeyUZUBFOWJOIOLSB-UHFFFAOYSA-N
MW69.07 g/mol
LogP1.12
Rot. Bonds

About CID 139212542

CID 139212542 (PubChem CID 139212542) has the molecular formula C2H3N3 and a molecular weight of 69.07 g/mol.

Molecular Properties

Compound NameCID 139212542
PubChem CID139212542
Molecular FormulaC2H3N3
Molecular Weight69.07 g/mol
Exact Mass69.03
IUPAC Name—
SMILESC#C.[N-]=[N+]=N
InChIInChI=1S/C2H2.HN3/c1-2;1-3-2/h1-2H;1H
InChIKeyUZUBFOWJOIOLSB-UHFFFAOYSA-N
XLogP1.12
TPSA60.25 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50069.07
LogP ≤ 51.12
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 139212542?
The IUPAC name of CID 139212542 (CID 139212542) is not available.
What is the SMILES notation for CID 139212542?
The canonical SMILES for CID 139212542 is C#C.[N-]=[N+]=N.
What is the InChIKey of CID 139212542?
The InChIKey is UZUBFOWJOIOLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2.HN3/c1-2;1-3-2/h1-2H;1H.
What are the key properties of CID 139212542?
CID 139212542 has a molecular weight of 69.07 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139212542 is sourced from PubChem (CID 139212542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).