sodium 8-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate

C7H5N4NaO2 — CID 134828406

IUPACsodium 8-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
SMILESCc1nccn2c(C(=O)[O-])nnc12.[Na+]
InChIInChI=1S/C7H6N4O2.Na/c1-4-5-9-10-6(7(12)13)11(5)3-2-8-4;/h2-3H,1H3,(H,12,13);/q;+1/p-1
InChIKeyGNWPLUVYRDIWOX-UHFFFAOYSA-M
MW200.13 g/mol
LogP-4.20
Rot. Bonds1

About sodium 8-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate

sodium 8-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate (PubChem CID 134828406) has the molecular formula C7H5N4NaO2 and a molecular weight of 200.13 g/mol. Its IUPAC name is sodium 8-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate.

Molecular Properties

Compound Namesodium 8-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
PubChem CID134828406
Molecular FormulaC7H5N4NaO2
Molecular Weight200.13 g/mol
Exact Mass200.03
IUPAC Namesodium 8-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
SMILESCc1nccn2c(C(=O)[O-])nnc12.[Na+]
InChIInChI=1S/C7H6N4O2.Na/c1-4-5-9-10-6(7(12)13)11(5)3-2-8-4;/h2-3H,1H3,(H,12,13);/q;+1/p-1
InChIKeyGNWPLUVYRDIWOX-UHFFFAOYSA-M
XLogP-4.20
TPSA83.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.13
LogP ≤ 5-4.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of sodium 8-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
The IUPAC name of sodium 8-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate (CID 134828406) is sodium 8-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate.
What is the SMILES notation for sodium 8-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
The canonical SMILES for sodium 8-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate is Cc1nccn2c(C(=O)[O-])nnc12.[Na+].
What is the InChIKey of sodium 8-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
The InChIKey is GNWPLUVYRDIWOX-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6N4O2.Na/c1-4-5-9-10-6(7(12)13)11(5)3-2-8-4;/h2-3H,1H3,(H,12,13);/q;+1/p-1.
What are the key properties of sodium 8-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
sodium 8-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate has a molecular weight of 200.13 g/mol, XLogP of -4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 8-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate is sourced from PubChem (CID 134828406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).