CID 87167876

C12H19AsN4O — CID 87167876

IUPAC—
SMILESCOCCN(C)[C@H]1CCN(c2cnnc([As])c2)C1
InChIInChI=1S/C12H19AsN4O/c1-16(5-6-18-2)10-3-4-17(9-10)11-7-12(13)15-14-8-11/h7-8,10H,3-6,9H2,1-2H3/t10-/m0/s1
InChIKeyAUSSZDYZRKNGRG-JTQLQIEISA-N
MW310.23 g/mol
LogP-0.57
Rot. Bonds5

About CID 87167876

CID 87167876 (PubChem CID 87167876) has the molecular formula C12H19AsN4O and a molecular weight of 310.23 g/mol.

Molecular Properties

Compound NameCID 87167876
PubChem CID87167876
Molecular FormulaC12H19AsN4O
Molecular Weight310.23 g/mol
Exact Mass310.08
IUPAC Name—
SMILESCOCCN(C)[C@H]1CCN(c2cnnc([As])c2)C1
InChIInChI=1S/C12H19AsN4O/c1-16(5-6-18-2)10-3-4-17(9-10)11-7-12(13)15-14-8-11/h7-8,10H,3-6,9H2,1-2H3/t10-/m0/s1
InChIKeyAUSSZDYZRKNGRG-JTQLQIEISA-N
XLogP-0.57
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-Pyridazinyl)morpholine
CID 6401376
2-(N-methyl-N-(pyridazin-4-yl)amino)ethanol
CID 22030726
CID 87167817
CID 87167817
CID 87167818
CID 87167818
CID 87167939
CID 87167939
N-(oxolan-3-yl)pyridazin-4-amine
CID 178623514
4-[1-(6-Chloropyridazin-4-yl)pyrrolidin-3-yl]morpholine
CID 114478286

Frequently Asked Questions

What is the IUPAC name of CID 87167876?
The IUPAC name of CID 87167876 (CID 87167876) is not available.
What is the SMILES notation for CID 87167876?
The canonical SMILES for CID 87167876 is COCCN(C)[C@H]1CCN(c2cnnc([As])c2)C1.
What is the InChIKey of CID 87167876?
The InChIKey is AUSSZDYZRKNGRG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19AsN4O/c1-16(5-6-18-2)10-3-4-17(9-10)11-7-12(13)15-14-8-11/h7-8,10H,3-6,9H2,1-2H3/t10-/m0/s1.
What are the key properties of CID 87167876?
CID 87167876 has a molecular weight of 310.23 g/mol, XLogP of -0.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87167876 is sourced from PubChem (CID 87167876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).