CID 69026988

C3H3LiN3 — CID 69026988

IUPAC—
SMILES[Li].c1cnnnc1
InChIInChI=1S/C3H3N3.Li/c1-2-4-6-5-3-1;/h1-3H;
InChIKeyOYRRQXSHQZZELN-UHFFFAOYSA-N
MW88.02 g/mol
LogP-0.51
Rot. Bonds

About CID 69026988

CID 69026988 (PubChem CID 69026988) has the molecular formula C3H3LiN3 and a molecular weight of 88.02 g/mol.

Molecular Properties

Compound NameCID 69026988
PubChem CID69026988
Molecular FormulaC3H3LiN3
Molecular Weight88.02 g/mol
Exact Mass88.05
IUPAC Name—
SMILES[Li].c1cnnnc1
InChIInChI=1S/C3H3N3.Li/c1-2-4-6-5-3-1;/h1-3H;
InChIKeyOYRRQXSHQZZELN-UHFFFAOYSA-N
XLogP-0.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.02
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 69026988?
The IUPAC name of CID 69026988 (CID 69026988) is not available.
What is the SMILES notation for CID 69026988?
The canonical SMILES for CID 69026988 is [Li].c1cnnnc1.
What is the InChIKey of CID 69026988?
The InChIKey is OYRRQXSHQZZELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.Li/c1-2-4-6-5-3-1;/h1-3H;.
What are the key properties of CID 69026988?
CID 69026988 has a molecular weight of 88.02 g/mol, XLogP of -0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69026988 is sourced from PubChem (CID 69026988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).