CID 173112578

C7H12AlLiN3OS — CID 173112578

IUPAC—
SMILESCNc1nc(SC)ncc1CO.[Al].[H-].[Li+]
InChIInChI=1S/C7H11N3OS.Al.Li.H/c1-8-6-5(4-11)3-9-7(10-6)12-2;;;/h3,11H,4H2,1-2H3,(H,8,9,10);;;/q;;+1;-1
InChIKeyCGVWWWAPWOIACJ-UHFFFAOYSA-N
MW220.18 g/mol
LogP-2.53
Rot. Bonds3

About CID 173112578

CID 173112578 (PubChem CID 173112578) has the molecular formula C7H12AlLiN3OS and a molecular weight of 220.18 g/mol.

Molecular Properties

Compound NameCID 173112578
PubChem CID173112578
Molecular FormulaC7H12AlLiN3OS
Molecular Weight220.18 g/mol
Exact Mass220.07
IUPAC Name—
SMILESCNc1nc(SC)ncc1CO.[Al].[H-].[Li+]
InChIInChI=1S/C7H11N3OS.Al.Li.H/c1-8-6-5(4-11)3-9-7(10-6)12-2;;;/h3,11H,4H2,1-2H3,(H,8,9,10);;;/q;;+1;-1
InChIKeyCGVWWWAPWOIACJ-UHFFFAOYSA-N
XLogP-2.53
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-2.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 173112578?
The IUPAC name of CID 173112578 (CID 173112578) is not available.
What is the SMILES notation for CID 173112578?
The canonical SMILES for CID 173112578 is CNc1nc(SC)ncc1CO.[Al].[H-].[Li+].
What is the InChIKey of CID 173112578?
The InChIKey is CGVWWWAPWOIACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS.Al.Li.H/c1-8-6-5(4-11)3-9-7(10-6)12-2;;;/h3,11H,4H2,1-2H3,(H,8,9,10);;;/q;;+1;-1.
What are the key properties of CID 173112578?
CID 173112578 has a molecular weight of 220.18 g/mol, XLogP of -2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173112578 is sourced from PubChem (CID 173112578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).