sodium 5-cyanotetrazole-5-carboxylate

C3N5NaO2 — CID 139258249

IUPACsodium 5-cyanotetrazole-5-carboxylate
SMILESN#CC1(C(=O)[O-])N=NN=N1.[Na+]
InChIInChI=1S/C3HN5O2.Na/c4-1-3(2(9)10)5-7-8-6-3;/h(H,9,10);/q;+1/p-1
InChIKeyUYMWDKQYZBFIDI-UHFFFAOYSA-M
MW161.06 g/mol
LogP-4.21
Rot. Bonds1

About sodium 5-cyanotetrazole-5-carboxylate

sodium 5-cyanotetrazole-5-carboxylate (PubChem CID 139258249) has the molecular formula C3N5NaO2 and a molecular weight of 161.06 g/mol. Its IUPAC name is sodium 5-cyanotetrazole-5-carboxylate.

Molecular Properties

Compound Namesodium 5-cyanotetrazole-5-carboxylate
PubChem CID139258249
Molecular FormulaC3N5NaO2
Molecular Weight161.06 g/mol
Exact Mass160.99
IUPAC Namesodium 5-cyanotetrazole-5-carboxylate
SMILESN#CC1(C(=O)[O-])N=NN=N1.[Na+]
InChIInChI=1S/C3HN5O2.Na/c4-1-3(2(9)10)5-7-8-6-3;/h(H,9,10);/q;+1/p-1
InChIKeyUYMWDKQYZBFIDI-UHFFFAOYSA-M
XLogP-4.21
TPSA113.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.06
LogP ≤ 5-4.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

disodium;carbonate;hydrate
CID 2735133
3-cyano-1,2,4-triazole-3-carboxylic acid
CID 18000717
2,4,5-tricyanoimidazole-2-carboxylic acid
CID 122587991
potassium;sodium;carbonate;hexahydrate
CID 18988965
oxalate;bis(yttrium(3+));hydrate
CID 516803
5-bromotetrazole-5-carbonitrile
CID 69384376
hexadecasodium;octacarbonate
CID 141056250
methyl 3-cyano-1,2,4-triazole-3-carboxylate
CID 154639046
sodium;acetate;trihydrate
CID 23665404
yttrium(3+);triacetate;hydrate
CID 57376990
azanium;oxalate;yttrium(3+);hydrate
CID 20835715
bis(yttrium(3+));diacetate;tetrahydrate
CID 161152203

Frequently Asked Questions

What is the IUPAC name of sodium 5-cyanotetrazole-5-carboxylate?
The IUPAC name of sodium 5-cyanotetrazole-5-carboxylate (CID 139258249) is sodium 5-cyanotetrazole-5-carboxylate.
What is the SMILES notation for sodium 5-cyanotetrazole-5-carboxylate?
The canonical SMILES for sodium 5-cyanotetrazole-5-carboxylate is N#CC1(C(=O)[O-])N=NN=N1.[Na+].
What is the InChIKey of sodium 5-cyanotetrazole-5-carboxylate?
The InChIKey is UYMWDKQYZBFIDI-UHFFFAOYSA-M. The full InChI is InChI=1S/C3HN5O2.Na/c4-1-3(2(9)10)5-7-8-6-3;/h(H,9,10);/q;+1/p-1.
What are the key properties of sodium 5-cyanotetrazole-5-carboxylate?
sodium 5-cyanotetrazole-5-carboxylate has a molecular weight of 161.06 g/mol, XLogP of -4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-cyanotetrazole-5-carboxylate is sourced from PubChem (CID 139258249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).