5-(cyclopropylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide

C8H11N5OS — CID 76901402

IUPAC5-(cyclopropylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide
SMILESCSc1nnc(C(N)=O)c(NC2CC2)n1
InChIInChI=1S/C8H11N5OS/c1-15-8-11-7(10-4-2-3-4)5(6(9)14)12-13-8/h4H,2-3H2,1H3,(H2,9,14)(H,10,11,13)
InChIKeyZOBGNZQZQJELIT-UHFFFAOYSA-N
MW225.28 g/mol
LogP0.27
Rot. Bonds4

About 5-(cyclopropylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide

5-(cyclopropylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide (PubChem CID 76901402) has the molecular formula C8H11N5OS and a molecular weight of 225.28 g/mol. Its IUPAC name is 5-(cyclopropylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name5-(cyclopropylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide
PubChem CID76901402
Molecular FormulaC8H11N5OS
Molecular Weight225.28 g/mol
Exact Mass225.07
IUPAC Name5-(cyclopropylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide
SMILESCSc1nnc(C(N)=O)c(NC2CC2)n1
InChIInChI=1S/C8H11N5OS/c1-15-8-11-7(10-4-2-3-4)5(6(9)14)12-13-8/h4H,2-3H2,1H3,(H2,9,14)(H,10,11,13)
InChIKeyZOBGNZQZQJELIT-UHFFFAOYSA-N
XLogP0.27
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide?
The IUPAC name of 5-(cyclopropylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide (CID 76901402) is 5-(cyclopropylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 5-(cyclopropylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 5-(cyclopropylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide is CSc1nnc(C(N)=O)c(NC2CC2)n1.
What is the InChIKey of 5-(cyclopropylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide?
The InChIKey is ZOBGNZQZQJELIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5OS/c1-15-8-11-7(10-4-2-3-4)5(6(9)14)12-13-8/h4H,2-3H2,1H3,(H2,9,14)(H,10,11,13).
What are the key properties of 5-(cyclopropylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide?
5-(cyclopropylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide has a molecular weight of 225.28 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 76901402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).