CID 86609985

C2H7N3Na — CID 86609985

IUPAC—
SMILESC1NCNN1.[Na]
InChIInChI=1S/C2H7N3.Na/c1-3-2-5-4-1;/h3-5H,1-2H2;
InChIKeyXMGRICJQVOZUKL-UHFFFAOYSA-N
MW96.09 g/mol
LogP-1.78
Rot. Bonds

About CID 86609985

CID 86609985 (PubChem CID 86609985) has the molecular formula C2H7N3Na and a molecular weight of 96.09 g/mol.

Molecular Properties

Compound NameCID 86609985
PubChem CID86609985
Molecular FormulaC2H7N3Na
Molecular Weight96.09 g/mol
Exact Mass96.05
IUPAC Name—
SMILESC1NCNN1.[Na]
InChIInChI=1S/C2H7N3.Na/c1-3-2-5-4-1;/h3-5H,1-2H2;
InChIKeyXMGRICJQVOZUKL-UHFFFAOYSA-N
XLogP-1.78
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.09
LogP ≤ 5-1.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 86609985?
The IUPAC name of CID 86609985 (CID 86609985) is not available.
What is the SMILES notation for CID 86609985?
The canonical SMILES for CID 86609985 is C1NCNN1.[Na].
What is the InChIKey of CID 86609985?
The InChIKey is XMGRICJQVOZUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N3.Na/c1-3-2-5-4-1;/h3-5H,1-2H2;.
What are the key properties of CID 86609985?
CID 86609985 has a molecular weight of 96.09 g/mol, XLogP of -1.78, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86609985 is sourced from PubChem (CID 86609985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).