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

C9H13N5OS — CID 76901403

IUPAC5-(cyclobutylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide
SMILESCSc1nnc(C(N)=O)c(NC2CCC2)n1
InChIInChI=1S/C9H13N5OS/c1-16-9-12-8(11-5-3-2-4-5)6(7(10)15)13-14-9/h5H,2-4H2,1H3,(H2,10,15)(H,11,12,14)
InChIKeyWTXDSBSOZWEFDL-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.66
Rot. Bonds4

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

5-(cyclobutylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide (PubChem CID 76901403) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is 5-(cyclobutylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name5-(cyclobutylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide
PubChem CID76901403
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name5-(cyclobutylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide
SMILESCSc1nnc(C(N)=O)c(NC2CCC2)n1
InChIInChI=1S/C9H13N5OS/c1-16-9-12-8(11-5-3-2-4-5)6(7(10)15)13-14-9/h5H,2-4H2,1H3,(H2,10,15)(H,11,12,14)
InChIKeyWTXDSBSOZWEFDL-UHFFFAOYSA-N
XLogP0.66
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide?
The IUPAC name of 5-(cyclobutylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide (CID 76901403) is 5-(cyclobutylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 5-(cyclobutylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 5-(cyclobutylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide is CSc1nnc(C(N)=O)c(NC2CCC2)n1.
What is the InChIKey of 5-(cyclobutylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide?
The InChIKey is WTXDSBSOZWEFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-16-9-12-8(11-5-3-2-4-5)6(7(10)15)13-14-9/h5H,2-4H2,1H3,(H2,10,15)(H,11,12,14).
What are the key properties of 5-(cyclobutylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide?
5-(cyclobutylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide has a molecular weight of 239.30 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylamino)-3-methylsulfanyl-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 76901403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).