3-methyl-2H-pyrido[4,3-e][1,2,4]thiadiazine

C7H7N3S — CID 57172571

IUPAC3-methyl-2H-pyrido[4,3-e][1,2,4]thiadiazine
SMILESCC1=Nc2ccncc2SN1
InChIInChI=1S/C7H7N3S/c1-5-9-6-2-3-8-4-7(6)11-10-5/h2-4H,1H3,(H,9,10)
InChIKeyYPRXLBVEGWROSA-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.74
Rot. Bonds

About 3-methyl-2H-pyrido[4,3-e][1,2,4]thiadiazine

3-methyl-2H-pyrido[4,3-e][1,2,4]thiadiazine (PubChem CID 57172571) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 3-methyl-2H-pyrido[4,3-e][1,2,4]thiadiazine.

Molecular Properties

Compound Name3-methyl-2H-pyrido[4,3-e][1,2,4]thiadiazine
PubChem CID57172571
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name3-methyl-2H-pyrido[4,3-e][1,2,4]thiadiazine
SMILESCC1=Nc2ccncc2SN1
InChIInChI=1S/C7H7N3S/c1-5-9-6-2-3-8-4-7(6)11-10-5/h2-4H,1H3,(H,9,10)
InChIKeyYPRXLBVEGWROSA-UHFFFAOYSA-N
XLogP1.74
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-pyrido[4,3-e][1,2,4]thiadiazine?
The IUPAC name of 3-methyl-2H-pyrido[4,3-e][1,2,4]thiadiazine (CID 57172571) is 3-methyl-2H-pyrido[4,3-e][1,2,4]thiadiazine.
What is the SMILES notation for 3-methyl-2H-pyrido[4,3-e][1,2,4]thiadiazine?
The canonical SMILES for 3-methyl-2H-pyrido[4,3-e][1,2,4]thiadiazine is CC1=Nc2ccncc2SN1.
What is the InChIKey of 3-methyl-2H-pyrido[4,3-e][1,2,4]thiadiazine?
The InChIKey is YPRXLBVEGWROSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-5-9-6-2-3-8-4-7(6)11-10-5/h2-4H,1H3,(H,9,10).
What are the key properties of 3-methyl-2H-pyrido[4,3-e][1,2,4]thiadiazine?
3-methyl-2H-pyrido[4,3-e][1,2,4]thiadiazine has a molecular weight of 165.22 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-pyrido[4,3-e][1,2,4]thiadiazine is sourced from PubChem (CID 57172571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).