sodium 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylate

C6H7N4NaO2 — CID 167724266

IUPACsodium 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylate
SMILESO=C([O-])C1NCCn2cnnc21.[Na+]
InChIInChI=1S/C6H8N4O2.Na/c11-6(12)4-5-9-8-3-10(5)2-1-7-4;/h3-4,7H,1-2H2,(H,11,12);/q;+1/p-1
InChIKeyPSBUYUPDYKTNQJ-UHFFFAOYSA-M
MW190.14 g/mol
LogP-5.32
Rot. Bonds1

About sodium 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylate

sodium 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylate (PubChem CID 167724266) has the molecular formula C6H7N4NaO2 and a molecular weight of 190.14 g/mol. Its IUPAC name is sodium 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylate.

Molecular Properties

Compound Namesodium 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylate
PubChem CID167724266
Molecular FormulaC6H7N4NaO2
Molecular Weight190.14 g/mol
Exact Mass190.05
IUPAC Namesodium 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylate
SMILESO=C([O-])C1NCCn2cnnc21.[Na+]
InChIInChI=1S/C6H8N4O2.Na/c11-6(12)4-5-9-8-3-10(5)2-1-7-4;/h3-4,7H,1-2H2,(H,11,12);/q;+1/p-1
InChIKeyPSBUYUPDYKTNQJ-UHFFFAOYSA-M
XLogP-5.32
TPSA82.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.14
LogP ≤ 5-5.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine-6-carboxylate
CID 122163301
5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid dihydrochloride
CID 132323943
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylic acid
CID 123599709
2-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxylic acid
CID 84699244
5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
CID 132323944
5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylic acid
CID 167724267
3-Methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylic acid
CID 66940048
8-Methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid
CID 68799549
tert-butyl 5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylate
CID 91258773
1-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-5-yl)ethanone
CID 173899278
3-Methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
CID 45099842
2-[1-(4-Methyl-1,2,4-triazol-3-yl)ethylamino]acetic acid
CID 62117345

Frequently Asked Questions

What is the IUPAC name of sodium 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylate?
The IUPAC name of sodium 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylate (CID 167724266) is sodium 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylate.
What is the SMILES notation for sodium 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylate?
The canonical SMILES for sodium 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylate is O=C([O-])C1NCCn2cnnc21.[Na+].
What is the InChIKey of sodium 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylate?
The InChIKey is PSBUYUPDYKTNQJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8N4O2.Na/c11-6(12)4-5-9-8-3-10(5)2-1-7-4;/h3-4,7H,1-2H2,(H,11,12);/q;+1/p-1.
What are the key properties of sodium 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylate?
sodium 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylate has a molecular weight of 190.14 g/mol, XLogP of -5.32, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylate is sourced from PubChem (CID 167724266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).