5-amino-3-methylsulfanyl-1,2,4-triazine-6-carboxylic acid

C5H6N4O2S — CID 23446130

IUPAC5-amino-3-methylsulfanyl-1,2,4-triazine-6-carboxylic acid
SMILESCSc1nnc(C(=O)O)c(N)n1
InChIInChI=1S/C5H6N4O2S/c1-12-5-7-3(6)2(4(10)11)8-9-5/h1H3,(H,10,11)(H2,6,7,9)
InChIKeyNFENMDWLTJIKQP-UHFFFAOYSA-N
MW186.20 g/mol
LogP-0.13
Rot. Bonds2

About 5-amino-3-methylsulfanyl-1,2,4-triazine-6-carboxylic acid

5-amino-3-methylsulfanyl-1,2,4-triazine-6-carboxylic acid (PubChem CID 23446130) has the molecular formula C5H6N4O2S and a molecular weight of 186.20 g/mol. Its IUPAC name is 5-amino-3-methylsulfanyl-1,2,4-triazine-6-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-methylsulfanyl-1,2,4-triazine-6-carboxylic acid
PubChem CID23446130
Molecular FormulaC5H6N4O2S
Molecular Weight186.20 g/mol
Exact Mass186.02
IUPAC Name5-amino-3-methylsulfanyl-1,2,4-triazine-6-carboxylic acid
SMILESCSc1nnc(C(=O)O)c(N)n1
InChIInChI=1S/C5H6N4O2S/c1-12-5-7-3(6)2(4(10)11)8-9-5/h1H3,(H,10,11)(H2,6,7,9)
InChIKeyNFENMDWLTJIKQP-UHFFFAOYSA-N
XLogP-0.13
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methylsulfanyl-1,2,4-triazine-6-carboxylic acid?
The IUPAC name of 5-amino-3-methylsulfanyl-1,2,4-triazine-6-carboxylic acid (CID 23446130) is 5-amino-3-methylsulfanyl-1,2,4-triazine-6-carboxylic acid.
What is the SMILES notation for 5-amino-3-methylsulfanyl-1,2,4-triazine-6-carboxylic acid?
The canonical SMILES for 5-amino-3-methylsulfanyl-1,2,4-triazine-6-carboxylic acid is CSc1nnc(C(=O)O)c(N)n1.
What is the InChIKey of 5-amino-3-methylsulfanyl-1,2,4-triazine-6-carboxylic acid?
The InChIKey is NFENMDWLTJIKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2S/c1-12-5-7-3(6)2(4(10)11)8-9-5/h1H3,(H,10,11)(H2,6,7,9).
What are the key properties of 5-amino-3-methylsulfanyl-1,2,4-triazine-6-carboxylic acid?
5-amino-3-methylsulfanyl-1,2,4-triazine-6-carboxylic acid has a molecular weight of 186.20 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methylsulfanyl-1,2,4-triazine-6-carboxylic acid is sourced from PubChem (CID 23446130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).