5-amino-3-methylsulfanyl-1,2,4-triazine-6-carbaldehyde

C5H6N4OS — CID 20614280

IUPAC5-amino-3-methylsulfanyl-1,2,4-triazine-6-carbaldehyde
SMILESCSc1nnc(C=O)c(N)n1
InChIInChI=1S/C5H6N4OS/c1-11-5-7-4(6)3(2-10)8-9-5/h2H,1H3,(H2,6,7,9)
InChIKeyQRUYMOKQSALHJC-UHFFFAOYSA-N
MW170.20 g/mol
LogP-0.01
Rot. Bonds2

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

5-amino-3-methylsulfanyl-1,2,4-triazine-6-carbaldehyde (PubChem CID 20614280) has the molecular formula C5H6N4OS and a molecular weight of 170.20 g/mol. Its IUPAC name is 5-amino-3-methylsulfanyl-1,2,4-triazine-6-carbaldehyde.

Molecular Properties

Compound Name5-amino-3-methylsulfanyl-1,2,4-triazine-6-carbaldehyde
PubChem CID20614280
Molecular FormulaC5H6N4OS
Molecular Weight170.20 g/mol
Exact Mass170.03
IUPAC Name5-amino-3-methylsulfanyl-1,2,4-triazine-6-carbaldehyde
SMILESCSc1nnc(C=O)c(N)n1
InChIInChI=1S/C5H6N4OS/c1-11-5-7-4(6)3(2-10)8-9-5/h2H,1H3,(H2,6,7,9)
InChIKeyQRUYMOKQSALHJC-UHFFFAOYSA-N
XLogP-0.01
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methylsulfanyl-1,2,4-triazine-6-carbaldehyde?
The IUPAC name of 5-amino-3-methylsulfanyl-1,2,4-triazine-6-carbaldehyde (CID 20614280) is 5-amino-3-methylsulfanyl-1,2,4-triazine-6-carbaldehyde.
What is the SMILES notation for 5-amino-3-methylsulfanyl-1,2,4-triazine-6-carbaldehyde?
The canonical SMILES for 5-amino-3-methylsulfanyl-1,2,4-triazine-6-carbaldehyde is CSc1nnc(C=O)c(N)n1.
What is the InChIKey of 5-amino-3-methylsulfanyl-1,2,4-triazine-6-carbaldehyde?
The InChIKey is QRUYMOKQSALHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4OS/c1-11-5-7-4(6)3(2-10)8-9-5/h2H,1H3,(H2,6,7,9).
What are the key properties of 5-amino-3-methylsulfanyl-1,2,4-triazine-6-carbaldehyde?
5-amino-3-methylsulfanyl-1,2,4-triazine-6-carbaldehyde has a molecular weight of 170.20 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 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-carbaldehyde is sourced from PubChem (CID 20614280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).