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

C10H8ClN3S — CID 3062853

IUPAC8-chloro-1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
SMILESCc1nnc2n1-c1cc(Cl)ccc1SC2
InChIInChI=1S/C10H8ClN3S/c1-6-12-13-10-5-15-9-3-2-7(11)4-8(9)14(6)10/h2-4H,5H2,1H3
InChIKeyPUQQAYVSXJOQRD-UHFFFAOYSA-N
MW237.72 g/mol
LogP2.83
Rot. Bonds

About 8-chloro-1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine

8-chloro-1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine (PubChem CID 3062853) has the molecular formula C10H8ClN3S and a molecular weight of 237.72 g/mol. Its IUPAC name is 8-chloro-1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine.

Molecular Properties

Compound Name8-chloro-1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
PubChem CID3062853
Molecular FormulaC10H8ClN3S
Molecular Weight237.72 g/mol
Exact Mass237.01
IUPAC Name8-chloro-1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
SMILESCc1nnc2n1-c1cc(Cl)ccc1SC2
InChIInChI=1S/C10H8ClN3S/c1-6-12-13-10-5-15-9-3-2-7(11)4-8(9)14(6)10/h2-4H,5H2,1H3
InChIKeyPUQQAYVSXJOQRD-UHFFFAOYSA-N
XLogP2.83
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.72
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4H-(1,2,4)Triazolo(3,4-c)(1,4)benzothiazine, 1-(4-chlorophenyl)-
CID 2816775
1-(2-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
CID 2816683
4H-(1,2,4)Triazolo(3,4-c)(1,4)benzothiazine, 8-chloro-1-phenyl-
CID 3062854
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
4H-(1,2,4)Triazolo(3,4-c)(1,4)benzothiazine, 8-chloro-1-(4-morpholinylmethyl)-
CID 3066390
1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-1-methyl-
CID 3066656
1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-9-chloro-5-methyl-
CID 3066659
1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-9-chloro-5-methyl-1-phenyl-
CID 3066660
1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-8-chloro-1-methyl-
CID 3066661
4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 1-methyl-
CID 13437776

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The IUPAC name of 8-chloro-1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine (CID 3062853) is 8-chloro-1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine.
What is the SMILES notation for 8-chloro-1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The canonical SMILES for 8-chloro-1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine is Cc1nnc2n1-c1cc(Cl)ccc1SC2.
What is the InChIKey of 8-chloro-1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The InChIKey is PUQQAYVSXJOQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3S/c1-6-12-13-10-5-15-9-3-2-7(11)4-8(9)14(6)10/h2-4H,5H2,1H3.
What are the key properties of 8-chloro-1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
8-chloro-1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine has a molecular weight of 237.72 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine is sourced from PubChem (CID 3062853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).