CID 87167818

C14H21AsN4 — CID 87167818

IUPAC—
SMILESCN(C1CCCC1)[C@H]1CCN(c2cnnc([As])c2)C1
InChIInChI=1S/C14H21AsN4/c1-18(11-4-2-3-5-11)12-6-7-19(10-12)13-8-14(15)17-16-9-13/h8-9,11-12H,2-7,10H2,1H3/t12-/m0/s1
InChIKeyFFEJZMRERVGOOQ-LBPRGKRZSA-N
MW320.27 g/mol
LogP0.72
Rot. Bonds3

About CID 87167818

CID 87167818 (PubChem CID 87167818) has the molecular formula C14H21AsN4 and a molecular weight of 320.27 g/mol.

Molecular Properties

Compound NameCID 87167818
PubChem CID87167818
Molecular FormulaC14H21AsN4
Molecular Weight320.27 g/mol
Exact Mass320.10
IUPAC Name—
SMILESCN(C1CCCC1)[C@H]1CCN(c2cnnc([As])c2)C1
InChIInChI=1S/C14H21AsN4/c1-18(11-4-2-3-5-11)12-6-7-19(10-12)13-8-14(15)17-16-9-13/h8-9,11-12H,2-7,10H2,1H3/t12-/m0/s1
InChIKeyFFEJZMRERVGOOQ-LBPRGKRZSA-N
XLogP0.72
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 50.72
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 87167818?
The IUPAC name of CID 87167818 (CID 87167818) is not available.
What is the SMILES notation for CID 87167818?
The canonical SMILES for CID 87167818 is CN(C1CCCC1)[C@H]1CCN(c2cnnc([As])c2)C1.
What is the InChIKey of CID 87167818?
The InChIKey is FFEJZMRERVGOOQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21AsN4/c1-18(11-4-2-3-5-11)12-6-7-19(10-12)13-8-14(15)17-16-9-13/h8-9,11-12H,2-7,10H2,1H3/t12-/m0/s1.
What are the key properties of CID 87167818?
CID 87167818 has a molecular weight of 320.27 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87167818 is sourced from PubChem (CID 87167818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).