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

C8H13HgN5O3 — CID 146037541

IUPACacetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]mercury
SMILESCC(=O)O[Hg]CC(O)CNc1ncnc(N)n1
InChIInChI=1S/C6H10N5O.C2H4O2.Hg/c1-4(12)2-8-6-10-3-9-5(7)11-6;1-2(3)4;/h3-4,12H,1-2H2,(H3,7,8,9,10,11);1H3,(H,3,4);/q;;+1/p-1
InChIKeyRAZRZHMVXYXFPD-UHFFFAOYSA-M
MW427.81 g/mol
LogP-0.79
Rot. Bonds6

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

acetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]mercury (PubChem CID 146037541) has the molecular formula C8H13HgN5O3 and a molecular weight of 427.81 g/mol. Its IUPAC name is acetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]mercury.

Molecular Properties

Compound Nameacetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]mercury
PubChem CID146037541
Molecular FormulaC8H13HgN5O3
Molecular Weight427.81 g/mol
Exact Mass429.07
IUPAC Nameacetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]mercury
SMILESCC(=O)O[Hg]CC(O)CNc1ncnc(N)n1
InChIInChI=1S/C6H10N5O.C2H4O2.Hg/c1-4(12)2-8-6-10-3-9-5(7)11-6;1-2(3)4;/h3-4,12H,1-2H2,(H3,7,8,9,10,11);1H3,(H,3,4);/q;;+1/p-1
InChIKeyRAZRZHMVXYXFPD-UHFFFAOYSA-M
XLogP-0.79
TPSA123.25 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.81
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze acetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]mercury with MolForge

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Related Compounds

1-[(4-Fluoro-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 173314858
Chloro(3-((4-amino-1,3,5-triazin-2-yl)amino)-2-hydroxypropyl)mercury
CID 11971883
Niosh/OV5571000
CID 146037516
Niosh/OV5470000
CID 146037559
1-[(4-Amino-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 130532659
3-[[4-(3-Hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 140991041
2-[[4-(3-Aminopropylamino)-1,3,5-triazin-2-yl]amino]acetic acid
CID 146259481
1-[[4-(2-Hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 173305206
1-[(4-Amino-1,3,5-triazin-2-yl)amino]butan-2-ol
CID 130532749

Frequently Asked Questions

What is the IUPAC name of acetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]mercury?
The IUPAC name of acetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]mercury (CID 146037541) is acetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]mercury.
What is the SMILES notation for acetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]mercury?
The canonical SMILES for acetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]mercury is CC(=O)O[Hg]CC(O)CNc1ncnc(N)n1.
What is the InChIKey of acetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]mercury?
The InChIKey is RAZRZHMVXYXFPD-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10N5O.C2H4O2.Hg/c1-4(12)2-8-6-10-3-9-5(7)11-6;1-2(3)4;/h3-4,12H,1-2H2,(H3,7,8,9,10,11);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-hydroxypropyl]mercury?
acetyloxy-[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]mercury has a molecular weight of 427.81 g/mol, XLogP of -0.79, 6 rotatable bonds, 3 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-hydroxypropyl]mercury is sourced from PubChem (CID 146037541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).