CID 66920881

C12H12N3P — CID 66920881

IUPAC—
SMILES[N-]=[N+]=N.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.HN3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-2/h1-10,13H;1H
InChIKeyUDLUCRWFOMUJIZ-UHFFFAOYSA-N
MW229.22 g/mol
LogP3.19
Rot. Bonds2

About CID 66920881

CID 66920881 (PubChem CID 66920881) has the molecular formula C12H12N3P and a molecular weight of 229.22 g/mol.

Molecular Properties

Compound NameCID 66920881
PubChem CID66920881
Molecular FormulaC12H12N3P
Molecular Weight229.22 g/mol
Exact Mass229.08
IUPAC Name—
SMILES[N-]=[N+]=N.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.HN3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-2/h1-10,13H;1H
InChIKeyUDLUCRWFOMUJIZ-UHFFFAOYSA-N
XLogP3.19
TPSA60.25 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 53.19
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': 'phosphor', '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 66920881?
The IUPAC name of CID 66920881 (CID 66920881) is not available.
What is the SMILES notation for CID 66920881?
The canonical SMILES for CID 66920881 is [N-]=[N+]=N.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of CID 66920881?
The InChIKey is UDLUCRWFOMUJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11P.HN3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-2/h1-10,13H;1H.
What are the key properties of CID 66920881?
CID 66920881 has a molecular weight of 229.22 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66920881 is sourced from PubChem (CID 66920881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).