CID 87167742

C12H20AsN4 — CID 87167742

IUPAC—
SMILESCC(C)C[As]c1nccc(N2CCNCC2)n1
InChIInChI=1S/C12H20AsN4/c1-10(2)9-13-12-15-4-3-11(16-12)17-7-5-14-6-8-17/h3-4,10,14H,5-9H2,1-2H3
InChIKeyMPBSGLDVNGVHRS-UHFFFAOYSA-N
MW295.24 g/mol
LogP0.29
Rot. Bonds4

About CID 87167742

CID 87167742 (PubChem CID 87167742) has the molecular formula C12H20AsN4 and a molecular weight of 295.24 g/mol.

Molecular Properties

Compound NameCID 87167742
PubChem CID87167742
Molecular FormulaC12H20AsN4
Molecular Weight295.24 g/mol
Exact Mass295.09
IUPAC Name—
SMILESCC(C)C[As]c1nccc(N2CCNCC2)n1
InChIInChI=1S/C12H20AsN4/c1-10(2)9-13-12-15-4-3-11(16-12)17-7-5-14-6-8-17/h3-4,10,14H,5-9H2,1-2H3
InChIKeyMPBSGLDVNGVHRS-UHFFFAOYSA-N
XLogP0.29
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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[(1R)-1-(4-piperazin-1-ylpyrimidin-2-yl)ethyl] butanoate
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CID 116972621
2-[(2,6-dichlorophenyl)methoxy]-4-piperazin-1-ylpyrimidine
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2-methyl-3-(4-piperazin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine
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Frequently Asked Questions

What is the IUPAC name of CID 87167742?
The IUPAC name of CID 87167742 (CID 87167742) is not available.
What is the SMILES notation for CID 87167742?
The canonical SMILES for CID 87167742 is CC(C)C[As]c1nccc(N2CCNCC2)n1.
What is the InChIKey of CID 87167742?
The InChIKey is MPBSGLDVNGVHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20AsN4/c1-10(2)9-13-12-15-4-3-11(16-12)17-7-5-14-6-8-17/h3-4,10,14H,5-9H2,1-2H3.
What are the key properties of CID 87167742?
CID 87167742 has a molecular weight of 295.24 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87167742 is sourced from PubChem (CID 87167742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).