CID 67796265

C5H5N5Na — CID 67796265

IUPAC—
SMILESNc1ncnc2nc[nH]c12.[Na]
InChIInChI=1S/C5H5N5.Na/c6-4-3-5(9-1-7-3)10-2-8-4;/h1-2H,(H3,6,7,8,9,10);
InChIKeyWLUBBPFCDLPWOI-UHFFFAOYSA-N
MW158.12 g/mol
LogP-0.45
Rot. Bonds

About CID 67796265

CID 67796265 (PubChem CID 67796265) has the molecular formula C5H5N5Na and a molecular weight of 158.12 g/mol.

Molecular Properties

Compound NameCID 67796265
PubChem CID67796265
Molecular FormulaC5H5N5Na
Molecular Weight158.12 g/mol
Exact Mass158.04
IUPAC Name—
SMILESNc1ncnc2nc[nH]c12.[Na]
InChIInChI=1S/C5H5N5.Na/c6-4-3-5(9-1-7-3)10-2-8-4;/h1-2H,(H3,6,7,8,9,10);
InChIKeyWLUBBPFCDLPWOI-UHFFFAOYSA-N
XLogP-0.45
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.12
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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dicopper;dioxidanium;tetrakis(7H-purin-6-amine)
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bis(7H-purin-6-amine);sulfate
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CID 160907606
benzamide;7H-purin-6-amine
CID 66705736
sodium;2-hydroxypropanoate;7H-purin-6-amine
CID 175024161
ethane;2-methylbutan-1-amine;7H-purin-6-amine
CID 144555996
methane;2-methyl-1,7-dihydropurin-6-one;7H-purin-6-amine
CID 159357752
7H-purin-6-amine;1,3-selenazole-2-carboxamide
CID 87994034
phenanthridine;7H-purin-6-amine
CID 90006324
2-(methylamino)-3-sulfanylpropanoic acid;7H-purin-6-amine
CID 174836451

Frequently Asked Questions

What is the IUPAC name of CID 67796265?
The IUPAC name of CID 67796265 (CID 67796265) is not available.
What is the SMILES notation for CID 67796265?
The canonical SMILES for CID 67796265 is Nc1ncnc2nc[nH]c12.[Na].
What is the InChIKey of CID 67796265?
The InChIKey is WLUBBPFCDLPWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5.Na/c6-4-3-5(9-1-7-3)10-2-8-4;/h1-2H,(H3,6,7,8,9,10);.
What are the key properties of CID 67796265?
CID 67796265 has a molecular weight of 158.12 g/mol, XLogP of -0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67796265 is sourced from PubChem (CID 67796265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).