CID 161237942

C3H6MgN6OS — CID 161237942

IUPAC—
SMILESNc1nc(N)nc(N)n1.O=S.[Mg]
InChIInChI=1S/C3H6N6.Mg.OS/c4-1-7-2(5)9-3(6)8-1;;1-2/h(H6,4,5,6,7,8,9);;
InChIKeyWRUIXNRVNIMBDS-UHFFFAOYSA-N
MW198.49 g/mol
LogP-2.10
Rot. Bonds

About CID 161237942

CID 161237942 (PubChem CID 161237942) has the molecular formula C3H6MgN6OS and a molecular weight of 198.49 g/mol.

Molecular Properties

Compound NameCID 161237942
PubChem CID161237942
Molecular FormulaC3H6MgN6OS
Molecular Weight198.49 g/mol
Exact Mass198.02
IUPAC Name—
SMILESNc1nc(N)nc(N)n1.O=S.[Mg]
InChIInChI=1S/C3H6N6.Mg.OS/c4-1-7-2(5)9-3(6)8-1;;1-2/h(H6,4,5,6,7,8,9);;
InChIKeyWRUIXNRVNIMBDS-UHFFFAOYSA-N
XLogP-2.10
TPSA133.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.49
LogP ≤ 5-2.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 161237942?
The IUPAC name of CID 161237942 (CID 161237942) is not available.
What is the SMILES notation for CID 161237942?
The canonical SMILES for CID 161237942 is Nc1nc(N)nc(N)n1.O=S.[Mg].
What is the InChIKey of CID 161237942?
The InChIKey is WRUIXNRVNIMBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.Mg.OS/c4-1-7-2(5)9-3(6)8-1;;1-2/h(H6,4,5,6,7,8,9);;.
What are the key properties of CID 161237942?
CID 161237942 has a molecular weight of 198.49 g/mol, XLogP of -2.10, 0 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161237942 is sourced from PubChem (CID 161237942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).