acetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury

C9H15HgN5O3 — CID 146037516

IUPACacetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury
SMILESCOC(CNc1ncnc(N)n1)C[Hg]OC(C)=O
InChIInChI=1S/C7H12N5O.C2H4O2.Hg/c1-5(13-2)3-9-7-11-4-10-6(8)12-7;1-2(3)4;/h4-5H,1,3H2,2H3,(H3,8,9,10,11,12);1H3,(H,3,4);/q;;+1/p-1
InChIKeyYFRVFSZXYPNGAS-UHFFFAOYSA-M
MW441.84 g/mol
LogP-0.14
Rot. Bonds7

About acetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury

acetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury (PubChem CID 146037516) has the molecular formula C9H15HgN5O3 and a molecular weight of 441.84 g/mol. Its IUPAC name is acetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury.

Molecular Properties

Compound Nameacetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury
PubChem CID146037516
Molecular FormulaC9H15HgN5O3
Molecular Weight441.84 g/mol
Exact Mass443.09
IUPAC Nameacetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury
SMILESCOC(CNc1ncnc(N)n1)C[Hg]OC(C)=O
InChIInChI=1S/C7H12N5O.C2H4O2.Hg/c1-5(13-2)3-9-7-11-4-10-6(8)12-7;1-2(3)4;/h4-5H,1,3H2,2H3,(H3,8,9,10,11,12);1H3,(H,3,4);/q;;+1/p-1
InChIKeyYFRVFSZXYPNGAS-UHFFFAOYSA-M
XLogP-0.14
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.84
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 acetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury?
The IUPAC name of acetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury (CID 146037516) is acetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury.
What is the SMILES notation for acetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury?
The canonical SMILES for acetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury is COC(CNc1ncnc(N)n1)C[Hg]OC(C)=O.
What is the InChIKey of acetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury?
The InChIKey is YFRVFSZXYPNGAS-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H12N5O.C2H4O2.Hg/c1-5(13-2)3-9-7-11-4-10-6(8)12-7;1-2(3)4;/h4-5H,1,3H2,2H3,(H3,8,9,10,11,12);1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of acetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury?
acetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury has a molecular weight of 441.84 g/mol, XLogP of -0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury is sourced from PubChem (CID 146037516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).