1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine

C10H9N3S — CID 13437776

IUPAC1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
SMILESCc1nnc2n1-c1ccccc1SC2
InChIInChI=1S/C10H9N3S/c1-7-11-12-10-6-14-9-5-3-2-4-8(9)13(7)10/h2-5H,6H2,1H3
InChIKeyVMXDWLBNYXYBFD-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.18
Rot. Bonds

About 1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine

1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine (PubChem CID 13437776) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is 1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine.

Molecular Properties

Compound Name1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
PubChem CID13437776
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Name1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
SMILESCc1nnc2n1-c1ccccc1SC2
InChIInChI=1S/C10H9N3S/c1-7-11-12-10-6-14-9-5-3-2-4-8(9)13(7)10/h2-5H,6H2,1H3
InChIKeyVMXDWLBNYXYBFD-UHFFFAOYSA-N
XLogP2.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 1-phenyl-
CID 2816686
1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-
CID 360966
4H-(1,2,4)Triazolo(3,4-c)(1,4)benzothiazine, 1-(2-thienyl)-
CID 2816685
4-Phenyl-3-(phenylsulfanylmethyl)-5-propan-2-ylsulfanyl-1,2,4-triazole
CID 71521460
4H-(1,2,4)Triazolo(3,4-c)(1,4)benzothiazine, 8-chloro-1-methyl-
CID 3062853
4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 1-methyl-8-(trifluoromethyl)-
CID 3062855
4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 1-methyl-8-nitro-
CID 3062857
4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 1-methyl-7-nitro-
CID 3062859
4H-s-Triazolo(3,4-c)(1,4)benzothiazine-1-methanamine, N,N-diethyl-
CID 3066386
4H-s-Triazolo(3,4-c)(1,4)benzothiazine-1-methanamine, 8-chloro-N,N-diethyl-
CID 3066387
4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 7-chloro-1-((4-methyl-1-piperazinyl)methyl)-
CID 3066388
1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-1-methyl-
CID 3066656

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The IUPAC name of 1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine (CID 13437776) is 1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine.
What is the SMILES notation for 1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The canonical SMILES for 1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine is Cc1nnc2n1-c1ccccc1SC2.
What is the InChIKey of 1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The InChIKey is VMXDWLBNYXYBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S/c1-7-11-12-10-6-14-9-5-3-2-4-8(9)13(7)10/h2-5H,6H2,1H3.
What are the key properties of 1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine has a molecular weight of 203.27 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine is sourced from PubChem (CID 13437776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).