CID 87301097

C4H2AsN5 — CID 87301097

IUPAC—
SMILES[As]c1ncc2n[nH]nc2n1
InChIInChI=1S/C4H2AsN5/c5-4-6-1-2-3(7-4)9-10-8-2/h1H,(H,6,7,8,9,10)
InChIKeyDJWKBOMNDLSVOK-UHFFFAOYSA-N
MW195.02 g/mol
LogP-1.46
Rot. Bonds

About CID 87301097

CID 87301097 (PubChem CID 87301097) has the molecular formula C4H2AsN5 and a molecular weight of 195.02 g/mol.

Molecular Properties

Compound NameCID 87301097
PubChem CID87301097
Molecular FormulaC4H2AsN5
Molecular Weight195.02 g/mol
Exact Mass194.95
IUPAC Name—
SMILES[As]c1ncc2n[nH]nc2n1
InChIInChI=1S/C4H2AsN5/c5-4-6-1-2-3(7-4)9-10-8-2/h1H,(H,6,7,8,9,10)
InChIKeyDJWKBOMNDLSVOK-UHFFFAOYSA-N
XLogP-1.46
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.02
LogP ≤ 5-1.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 87301097?
The IUPAC name of CID 87301097 (CID 87301097) is not available.
What is the SMILES notation for CID 87301097?
The canonical SMILES for CID 87301097 is [As]c1ncc2n[nH]nc2n1.
What is the InChIKey of CID 87301097?
The InChIKey is DJWKBOMNDLSVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2AsN5/c5-4-6-1-2-3(7-4)9-10-8-2/h1H,(H,6,7,8,9,10).
What are the key properties of CID 87301097?
CID 87301097 has a molecular weight of 195.02 g/mol, XLogP of -1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87301097 is sourced from PubChem (CID 87301097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).