CID 68739763

C7H7N3Na — CID 68739763

IUPAC—
SMILESCn1nnc2ccccc21.[Na]
InChIInChI=1S/C7H7N3.Na/c1-10-7-5-3-2-4-6(7)8-9-10;/h2-5H,1H3;
InChIKeyQDRXZCJMRDEEAE-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.59
Rot. Bonds

About CID 68739763

CID 68739763 (PubChem CID 68739763) has the molecular formula C7H7N3Na and a molecular weight of 156.14 g/mol.

Molecular Properties

Compound NameCID 68739763
PubChem CID68739763
Molecular FormulaC7H7N3Na
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name—
SMILESCn1nnc2ccccc21.[Na]
InChIInChI=1S/C7H7N3.Na/c1-10-7-5-3-2-4-6(7)8-9-10;/h2-5H,1H3;
InChIKeyQDRXZCJMRDEEAE-UHFFFAOYSA-N
XLogP0.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 68739763?
The IUPAC name of CID 68739763 (CID 68739763) is not available.
What is the SMILES notation for CID 68739763?
The canonical SMILES for CID 68739763 is Cn1nnc2ccccc21.[Na].
What is the InChIKey of CID 68739763?
The InChIKey is QDRXZCJMRDEEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.Na/c1-10-7-5-3-2-4-6(7)8-9-10;/h2-5H,1H3;.
What are the key properties of CID 68739763?
CID 68739763 has a molecular weight of 156.14 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68739763 is sourced from PubChem (CID 68739763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).