CID 139271989

C3H4N2NaO2 — CID 139271989

IUPAC—
SMILESCc1noc(=O)[nH]1.[Na]
InChIInChI=1S/C3H4N2O2.Na/c1-2-4-3(6)7-5-2;/h1H3,(H,4,5,6);
InChIKeyFNABFRVGHLQMLK-UHFFFAOYSA-N
MW123.07 g/mol
LogP-0.71
Rot. Bonds

About CID 139271989

CID 139271989 (PubChem CID 139271989) has the molecular formula C3H4N2NaO2 and a molecular weight of 123.07 g/mol.

Molecular Properties

Compound NameCID 139271989
PubChem CID139271989
Molecular FormulaC3H4N2NaO2
Molecular Weight123.07 g/mol
Exact Mass123.02
IUPAC Name—
SMILESCc1noc(=O)[nH]1.[Na]
InChIInChI=1S/C3H4N2O2.Na/c1-2-4-3(6)7-5-2;/h1H3,(H,4,5,6);
InChIKeyFNABFRVGHLQMLK-UHFFFAOYSA-N
XLogP-0.71
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.07
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 139271989?
The IUPAC name of CID 139271989 (CID 139271989) is not available.
What is the SMILES notation for CID 139271989?
The canonical SMILES for CID 139271989 is Cc1noc(=O)[nH]1.[Na].
What is the InChIKey of CID 139271989?
The InChIKey is FNABFRVGHLQMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O2.Na/c1-2-4-3(6)7-5-2;/h1H3,(H,4,5,6);.
What are the key properties of CID 139271989?
CID 139271989 has a molecular weight of 123.07 g/mol, XLogP of -0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139271989 is sourced from PubChem (CID 139271989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).