CID 164557731

C5H5GaN2 — CID 164557731

IUPAC—
SMILESCc1ccc([Ga])nn1
InChIInChI=1S/C5H5N2.Ga/c1-5-3-2-4-6-7-5;/h2-3H,1H3;
InChIKeyOBMDNXFNHUXPMV-UHFFFAOYSA-N
MW162.83 g/mol
LogP-0.42
Rot. Bonds

About CID 164557731

CID 164557731 (PubChem CID 164557731) has the molecular formula C5H5GaN2 and a molecular weight of 162.83 g/mol.

Molecular Properties

Compound NameCID 164557731
PubChem CID164557731
Molecular FormulaC5H5GaN2
Molecular Weight162.83 g/mol
Exact Mass161.97
IUPAC Name—
SMILESCc1ccc([Ga])nn1
InChIInChI=1S/C5H5N2.Ga/c1-5-3-2-4-6-7-5;/h2-3H,1H3;
InChIKeyOBMDNXFNHUXPMV-UHFFFAOYSA-N
XLogP-0.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.83
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 164557731?
The IUPAC name of CID 164557731 (CID 164557731) is not available.
What is the SMILES notation for CID 164557731?
The canonical SMILES for CID 164557731 is Cc1ccc([Ga])nn1.
What is the InChIKey of CID 164557731?
The InChIKey is OBMDNXFNHUXPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N2.Ga/c1-5-3-2-4-6-7-5;/h2-3H,1H3;.
What are the key properties of CID 164557731?
CID 164557731 has a molecular weight of 162.83 g/mol, XLogP of -0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164557731 is sourced from PubChem (CID 164557731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).