CID 175849131

C4H5AsN3O — CID 175849131

IUPAC—
SMILESNc1ccnc(=O)[nH]1.[As]
InChIInChI=1S/C4H5N3O.As/c5-3-1-2-6-4(8)7-3;/h1-2H,(H3,5,6,7,8);
InChIKeyCCQSSDWPWNBPNT-UHFFFAOYSA-N
MW186.03 g/mol
LogP-1.03
Rot. Bonds

About CID 175849131

CID 175849131 (PubChem CID 175849131) has the molecular formula C4H5AsN3O and a molecular weight of 186.03 g/mol.

Molecular Properties

Compound NameCID 175849131
PubChem CID175849131
Molecular FormulaC4H5AsN3O
Molecular Weight186.03 g/mol
Exact Mass185.96
IUPAC Name—
SMILESNc1ccnc(=O)[nH]1.[As]
InChIInChI=1S/C4H5N3O.As/c5-3-1-2-6-4(8)7-3;/h1-2H,(H3,5,6,7,8);
InChIKeyCCQSSDWPWNBPNT-UHFFFAOYSA-N
XLogP-1.03
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.03
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 175849131?
The IUPAC name of CID 175849131 (CID 175849131) is not available.
What is the SMILES notation for CID 175849131?
The canonical SMILES for CID 175849131 is Nc1ccnc(=O)[nH]1.[As].
What is the InChIKey of CID 175849131?
The InChIKey is CCQSSDWPWNBPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O.As/c5-3-1-2-6-4(8)7-3;/h1-2H,(H3,5,6,7,8);.
What are the key properties of CID 175849131?
CID 175849131 has a molecular weight of 186.03 g/mol, XLogP of -1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175849131 is sourced from PubChem (CID 175849131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).