sodium;5-methyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;dihydrate

C2H7N4NaO2 — CID 139152544

IUPACsodium;5-methyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;dihydrate
SMILESCc1nnn[n-]1.O.O.[Na+]
InChIInChI=1S/C2H3N4.Na.2H2O/c1-2-3-5-6-4-2;;;/h1H3;;2*1H2/q-1;+1;;
InChIKeyOWYHCNQIXXRVRA-UHFFFAOYSA-N
MW142.09 g/mol
LogP-5.51
Rot. Bonds

About sodium;5-methyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;dihydrate

sodium;5-methyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;dihydrate (PubChem CID 139152544) has the molecular formula C2H7N4NaO2 and a molecular weight of 142.09 g/mol. Its IUPAC name is sodium;5-methyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;dihydrate.

Molecular Properties

Compound Namesodium;5-methyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;dihydrate
PubChem CID139152544
Molecular FormulaC2H7N4NaO2
Molecular Weight142.09 g/mol
Exact Mass142.05
IUPAC Namesodium;5-methyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;dihydrate
SMILESCc1nnn[n-]1.O.O.[Na+]
InChIInChI=1S/C2H3N4.Na.2H2O/c1-2-3-5-6-4-2;;;/h1H3;;2*1H2/q-1;+1;;
InChIKeyOWYHCNQIXXRVRA-UHFFFAOYSA-N
XLogP-5.51
TPSA115.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.09
LogP ≤ 5-5.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium;5-methyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;dihydrate?
The IUPAC name of sodium;5-methyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;dihydrate (CID 139152544) is sodium;5-methyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;dihydrate.
What is the SMILES notation for sodium;5-methyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;dihydrate?
The canonical SMILES for sodium;5-methyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;dihydrate is Cc1nnn[n-]1.O.O.[Na+].
What is the InChIKey of sodium;5-methyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;dihydrate?
The InChIKey is OWYHCNQIXXRVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N4.Na.2H2O/c1-2-3-5-6-4-2;;;/h1H3;;2*1H2/q-1;+1;;.
What are the key properties of sodium;5-methyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;dihydrate?
sodium;5-methyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;dihydrate has a molecular weight of 142.09 g/mol, XLogP of -5.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;5-methyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;dihydrate is sourced from PubChem (CID 139152544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).