CID 66849194

C12H11N3 — CID 66849194

IUPAC—
SMILES[N-]=[N+]=N.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.HN3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2/h1-10H;1H
InChIKeyBDMMPCHHMPDSDH-UHFFFAOYSA-N
MW197.24 g/mol
LogP4.23
Rot. Bonds1

About CID 66849194

CID 66849194 (PubChem CID 66849194) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol.

Molecular Properties

Compound NameCID 66849194
PubChem CID66849194
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name—
SMILES[N-]=[N+]=N.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.HN3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2/h1-10H;1H
InChIKeyBDMMPCHHMPDSDH-UHFFFAOYSA-N
XLogP4.23
TPSA60.25 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 54.23
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 66849194?
The IUPAC name of CID 66849194 (CID 66849194) is not available.
What is the SMILES notation for CID 66849194?
The canonical SMILES for CID 66849194 is [N-]=[N+]=N.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of CID 66849194?
The InChIKey is BDMMPCHHMPDSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.HN3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2/h1-10H;1H.
What are the key properties of CID 66849194?
CID 66849194 has a molecular weight of 197.24 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66849194 is sourced from PubChem (CID 66849194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).