CID 172820708

CH6N2NaO2 — CID 172820708

IUPAC—
SMILESNC(N)=O.O.[Na]
InChIInChI=1S/CH4N2O.Na.H2O/c2-1(3)4;;/h(H4,2,3,4);;1H2
InChIKeyUELAXAYXMMTUSN-UHFFFAOYSA-N
MW101.06 g/mol
LogP-2.18
Rot. Bonds

About CID 172820708

CID 172820708 (PubChem CID 172820708) has the molecular formula CH6N2NaO2 and a molecular weight of 101.06 g/mol.

Molecular Properties

Compound NameCID 172820708
PubChem CID172820708
Molecular FormulaCH6N2NaO2
Molecular Weight101.06 g/mol
Exact Mass101.03
IUPAC Name—
SMILESNC(N)=O.O.[Na]
InChIInChI=1S/CH4N2O.Na.H2O/c2-1(3)4;;/h(H4,2,3,4);;1H2
InChIKeyUELAXAYXMMTUSN-UHFFFAOYSA-N
XLogP-2.18
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.06
LogP ≤ 5-2.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 172820708?
The IUPAC name of CID 172820708 (CID 172820708) is not available.
What is the SMILES notation for CID 172820708?
The canonical SMILES for CID 172820708 is NC(N)=O.O.[Na].
What is the InChIKey of CID 172820708?
The InChIKey is UELAXAYXMMTUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O.Na.H2O/c2-1(3)4;;/h(H4,2,3,4);;1H2.
What are the key properties of CID 172820708?
CID 172820708 has a molecular weight of 101.06 g/mol, XLogP of -2.18, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172820708 is sourced from PubChem (CID 172820708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).