CID 58872840

C3H3GaN2O — CID 58872840

IUPAC—
SMILESCc1nnc([Ga])o1
InChIInChI=1S/C3H3N2O.Ga/c1-3-5-4-2-6-3;/h1H3;
InChIKeyMSKICQJKCLQYTA-UHFFFAOYSA-N
MW152.79 g/mol
LogP-0.83
Rot. Bonds

About CID 58872840

CID 58872840 (PubChem CID 58872840) has the molecular formula C3H3GaN2O and a molecular weight of 152.79 g/mol.

Molecular Properties

Compound NameCID 58872840
PubChem CID58872840
Molecular FormulaC3H3GaN2O
Molecular Weight152.79 g/mol
Exact Mass151.95
IUPAC Name—
SMILESCc1nnc([Ga])o1
InChIInChI=1S/C3H3N2O.Ga/c1-3-5-4-2-6-3;/h1H3;
InChIKeyMSKICQJKCLQYTA-UHFFFAOYSA-N
XLogP-0.83
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.79
LogP ≤ 5-0.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58872840?
The IUPAC name of CID 58872840 (CID 58872840) is not available.
What is the SMILES notation for CID 58872840?
The canonical SMILES for CID 58872840 is Cc1nnc([Ga])o1.
What is the InChIKey of CID 58872840?
The InChIKey is MSKICQJKCLQYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N2O.Ga/c1-3-5-4-2-6-3;/h1H3;.
What are the key properties of CID 58872840?
CID 58872840 has a molecular weight of 152.79 g/mol, XLogP of -0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58872840 is sourced from PubChem (CID 58872840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).