CID 87167939

C12H17AsN4 — CID 87167939

IUPAC—
SMILESCN(C1CC1)[C@@H]1CCN(c2cnnc([As])c2)C1
InChIInChI=1S/C12H17AsN4/c1-16(9-2-3-9)10-4-5-17(8-10)11-6-12(13)15-14-7-11/h6-7,9-10H,2-5,8H2,1H3/t10-/m1/s1
InChIKeyHNSZBTJOYIFDJN-SNVBAGLBSA-N
MW292.22 g/mol
LogP-0.06
Rot. Bonds3

About CID 87167939

CID 87167939 (PubChem CID 87167939) has the molecular formula C12H17AsN4 and a molecular weight of 292.22 g/mol.

Molecular Properties

Compound NameCID 87167939
PubChem CID87167939
Molecular FormulaC12H17AsN4
Molecular Weight292.22 g/mol
Exact Mass292.07
IUPAC Name—
SMILESCN(C1CC1)[C@@H]1CCN(c2cnnc([As])c2)C1
InChIInChI=1S/C12H17AsN4/c1-16(9-2-3-9)10-4-5-17(8-10)11-6-12(13)15-14-7-11/h6-7,9-10H,2-5,8H2,1H3/t10-/m1/s1
InChIKeyHNSZBTJOYIFDJN-SNVBAGLBSA-N
XLogP-0.06
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
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 87167939?
The IUPAC name of CID 87167939 (CID 87167939) is not available.
What is the SMILES notation for CID 87167939?
The canonical SMILES for CID 87167939 is CN(C1CC1)[C@@H]1CCN(c2cnnc([As])c2)C1.
What is the InChIKey of CID 87167939?
The InChIKey is HNSZBTJOYIFDJN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17AsN4/c1-16(9-2-3-9)10-4-5-17(8-10)11-6-12(13)15-14-7-11/h6-7,9-10H,2-5,8H2,1H3/t10-/m1/s1.
What are the key properties of CID 87167939?
CID 87167939 has a molecular weight of 292.22 g/mol, XLogP of -0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87167939 is sourced from PubChem (CID 87167939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).