CID 175112486

C3H9N6OSnZn2 — CID 175112486

IUPAC—
SMILESNc1nc(N)nc(N)n1.O.[SnH].[Zn].[Zn]
InChIInChI=1S/C3H6N6.H2O.Sn.2Zn.H/c4-1-7-2(5)9-3(6)8-1;;;;;/h(H6,4,5,6,7,8,9);1H2;;;;
InChIKeyNUJSFQYVEZSDHA-UHFFFAOYSA-N
MW394.64 g/mol
LogP-2.86
Rot. Bonds

About CID 175112486

CID 175112486 (PubChem CID 175112486) has the molecular formula C3H9N6OSnZn2 and a molecular weight of 394.64 g/mol.

Molecular Properties

Compound NameCID 175112486
PubChem CID175112486
Molecular FormulaC3H9N6OSnZn2
Molecular Weight394.64 g/mol
Exact Mass392.84
IUPAC Name—
SMILESNc1nc(N)nc(N)n1.O.[SnH].[Zn].[Zn]
InChIInChI=1S/C3H6N6.H2O.Sn.2Zn.H/c4-1-7-2(5)9-3(6)8-1;;;;;/h(H6,4,5,6,7,8,9);1H2;;;;
InChIKeyNUJSFQYVEZSDHA-UHFFFAOYSA-N
XLogP-2.86
TPSA148.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.64
LogP ≤ 5-2.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-triazine-2,4,6-triamine
CID 67592325
1,3,5-triazine-2,4,6-triamine
CID 67883493
1,3,5-triazine-2,4,6-triamine
CID 22011128
cerium;1,3,5-triazine-2,4,6-triamine
CID 161330303
azane;molybdenum(4+);1,3,5-triazine-2,4,6-triamine
CID 172706405
azane;cobalt;1,3,5-triazine-2,4,6-triamine
CID 172711382
CID 158808778
CID 158808778
phosphoric acid;1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 163472059
CID 161237942
CID 161237942
boric acid;pentadecakis(1,3,5-triazine-2,4,6-triamine)
CID 173413723
2-N-(4,6-diamino-1,3,5-triazin-2-yl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 144607170
1,2,3,4,5,6-hexachlorocyclohexane;1,3,5-triazine-2,4,6-triamine
CID 139391218

Frequently Asked Questions

What is the IUPAC name of CID 175112486?
The IUPAC name of CID 175112486 (CID 175112486) is not available.
What is the SMILES notation for CID 175112486?
The canonical SMILES for CID 175112486 is Nc1nc(N)nc(N)n1.O.[SnH].[Zn].[Zn].
What is the InChIKey of CID 175112486?
The InChIKey is NUJSFQYVEZSDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.H2O.Sn.2Zn.H/c4-1-7-2(5)9-3(6)8-1;;;;;/h(H6,4,5,6,7,8,9);1H2;;;;.
What are the key properties of CID 175112486?
CID 175112486 has a molecular weight of 394.64 g/mol, XLogP of -2.86, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175112486 is sourced from PubChem (CID 175112486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).