sodium 5-carbamoyl-2H-triazol-4-olate

C3H3N4NaO2 — CID 6414543

IUPACsodium 5-carbamoyl-2H-triazol-4-olate
SMILESNC(=O)c1n[nH]nc1[O-].[Na+]
InChIInChI=1S/C3H4N4O2.Na/c4-2(8)1-3(9)6-7-5-1;/h(H2,4,8)(H2,5,6,7,9);/q;+1/p-1
InChIKeyHGJSJFGLCIWKEQ-UHFFFAOYSA-M
MW150.07 g/mol
LogP-5.02
Rot. Bonds1

About sodium 5-carbamoyl-2H-triazol-4-olate

sodium 5-carbamoyl-2H-triazol-4-olate (PubChem CID 6414543) has the molecular formula C3H3N4NaO2 and a molecular weight of 150.07 g/mol. Its IUPAC name is sodium 5-carbamoyl-2H-triazol-4-olate.

Molecular Properties

Compound Namesodium 5-carbamoyl-2H-triazol-4-olate
PubChem CID6414543
Molecular FormulaC3H3N4NaO2
Molecular Weight150.07 g/mol
Exact Mass150.02
IUPAC Namesodium 5-carbamoyl-2H-triazol-4-olate
SMILESNC(=O)c1n[nH]nc1[O-].[Na+]
InChIInChI=1S/C3H4N4O2.Na/c4-2(8)1-3(9)6-7-5-1;/h(H2,4,8)(H2,5,6,7,9);/q;+1/p-1
InChIKeyHGJSJFGLCIWKEQ-UHFFFAOYSA-M
XLogP-5.02
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.07
LogP ≤ 5-5.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 5-carbamoyl-2H-triazol-4-olate?
The IUPAC name of sodium 5-carbamoyl-2H-triazol-4-olate (CID 6414543) is sodium 5-carbamoyl-2H-triazol-4-olate.
What is the SMILES notation for sodium 5-carbamoyl-2H-triazol-4-olate?
The canonical SMILES for sodium 5-carbamoyl-2H-triazol-4-olate is NC(=O)c1n[nH]nc1[O-].[Na+].
What is the InChIKey of sodium 5-carbamoyl-2H-triazol-4-olate?
The InChIKey is HGJSJFGLCIWKEQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4N4O2.Na/c4-2(8)1-3(9)6-7-5-1;/h(H2,4,8)(H2,5,6,7,9);/q;+1/p-1.
What are the key properties of sodium 5-carbamoyl-2H-triazol-4-olate?
sodium 5-carbamoyl-2H-triazol-4-olate has a molecular weight of 150.07 g/mol, XLogP of -5.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-carbamoyl-2H-triazol-4-olate is sourced from PubChem (CID 6414543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).