CID 87691934

C6H4AsN3 — CID 87691934

IUPAC—
SMILES[As]c1nccc2[nH]cnc12
InChIInChI=1S/C6H4AsN3/c7-6-5-4(1-2-8-6)9-3-10-5/h1-3H,(H,9,10)
InChIKeyVKMYQXQUNMOSFM-UHFFFAOYSA-N
MW193.04 g/mol
LogP-0.25
Rot. Bonds

About CID 87691934

CID 87691934 (PubChem CID 87691934) has the molecular formula C6H4AsN3 and a molecular weight of 193.04 g/mol.

Molecular Properties

Compound NameCID 87691934
PubChem CID87691934
Molecular FormulaC6H4AsN3
Molecular Weight193.04 g/mol
Exact Mass192.96
IUPAC Name—
SMILES[As]c1nccc2[nH]cnc12
InChIInChI=1S/C6H4AsN3/c7-6-5-4(1-2-8-6)9-3-10-5/h1-3H,(H,9,10)
InChIKeyVKMYQXQUNMOSFM-UHFFFAOYSA-N
XLogP-0.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.04
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 87691934?
The IUPAC name of CID 87691934 (CID 87691934) is not available.
What is the SMILES notation for CID 87691934?
The canonical SMILES for CID 87691934 is [As]c1nccc2[nH]cnc12.
What is the InChIKey of CID 87691934?
The InChIKey is VKMYQXQUNMOSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4AsN3/c7-6-5-4(1-2-8-6)9-3-10-5/h1-3H,(H,9,10).
What are the key properties of CID 87691934?
CID 87691934 has a molecular weight of 193.04 g/mol, XLogP of -0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87691934 is sourced from PubChem (CID 87691934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).