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

C6H10ClHgN5O — CID 11971883

IUPAC[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-chloromercury
SMILESNc1ncnc(NCC(O)C[Hg]Cl)n1
InChIInChI=1S/C6H10N5O.ClH.Hg/c1-4(12)2-8-6-10-3-9-5(7)11-6;;/h3-4,12H,1-2H2,(H3,7,8,9,10,11);1H;/q;;+1/p-1
InChIKeyPZLPBONCDVZLOD-UHFFFAOYSA-M
MW404.22 g/mol
LogP-0.12
Rot. Bonds5

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

[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-chloromercury (PubChem CID 11971883) has the molecular formula C6H10ClHgN5O and a molecular weight of 404.22 g/mol. Its IUPAC name is [3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-chloromercury.

Molecular Properties

Compound Name[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-chloromercury
PubChem CID11971883
Molecular FormulaC6H10ClHgN5O
Molecular Weight404.22 g/mol
Exact Mass405.03
IUPAC Name[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-chloromercury
SMILESNc1ncnc(NCC(O)C[Hg]Cl)n1
InChIInChI=1S/C6H10N5O.ClH.Hg/c1-4(12)2-8-6-10-3-9-5(7)11-6;;/h3-4,12H,1-2H2,(H3,7,8,9,10,11);1H;/q;;+1/p-1
InChIKeyPZLPBONCDVZLOD-UHFFFAOYSA-M
XLogP-0.12
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.22
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 [3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-chloromercury?
The IUPAC name of [3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-chloromercury (CID 11971883) is [3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-chloromercury.
What is the SMILES notation for [3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-chloromercury?
The canonical SMILES for [3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-chloromercury is Nc1ncnc(NCC(O)C[Hg]Cl)n1.
What is the InChIKey of [3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-chloromercury?
The InChIKey is PZLPBONCDVZLOD-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10N5O.ClH.Hg/c1-4(12)2-8-6-10-3-9-5(7)11-6;;/h3-4,12H,1-2H2,(H3,7,8,9,10,11);1H;/q;;+1/p-1.
What are the key properties of [3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-chloromercury?
[3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-chloromercury has a molecular weight of 404.22 g/mol, XLogP of -0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-amino-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-chloromercury is sourced from PubChem (CID 11971883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).