CID 172754984

C4H4LiN2 — CID 172754984

IUPAC—
SMILES[Li].c1ccnnc1
InChIInChI=1S/C4H4N2.Li/c1-2-4-6-5-3-1;/h1-4H;
InChIKeyKWYBHGFSQGUAPC-UHFFFAOYSA-N
MW87.03 g/mol
LogP0.10
Rot. Bonds

About CID 172754984

CID 172754984 (PubChem CID 172754984) has the molecular formula C4H4LiN2 and a molecular weight of 87.03 g/mol.

Molecular Properties

Compound NameCID 172754984
PubChem CID172754984
Molecular FormulaC4H4LiN2
Molecular Weight87.03 g/mol
Exact Mass87.05
IUPAC Name—
SMILES[Li].c1ccnnc1
InChIInChI=1S/C4H4N2.Li/c1-2-4-6-5-3-1;/h1-4H;
InChIKeyKWYBHGFSQGUAPC-UHFFFAOYSA-N
XLogP0.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.03
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 172754984?
The IUPAC name of CID 172754984 (CID 172754984) is not available.
What is the SMILES notation for CID 172754984?
The canonical SMILES for CID 172754984 is [Li].c1ccnnc1.
What is the InChIKey of CID 172754984?
The InChIKey is KWYBHGFSQGUAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.Li/c1-2-4-6-5-3-1;/h1-4H;.
What are the key properties of CID 172754984?
CID 172754984 has a molecular weight of 87.03 g/mol, XLogP of 0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172754984 is sourced from PubChem (CID 172754984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).