1-methyl-10H-pyrazolo[3,4-b]phenothiazine

C14H11N3S — CID 135506169

IUPAC1-methyl-10H-pyrazolo[3,4-b]phenothiazine
SMILESCn1ncc2cc3c(cc21)Nc1ccccc1S3
InChIInChI=1S/C14H11N3S/c1-17-12-7-11-14(6-9(12)8-15-17)18-13-5-3-2-4-10(13)16-11/h2-8,16H,1H3
InChIKeyWENNVZFLMINNNJ-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.78
Rot. Bonds

About 1-methyl-10H-pyrazolo[3,4-b]phenothiazine

1-methyl-10H-pyrazolo[3,4-b]phenothiazine (PubChem CID 135506169) has the molecular formula C14H11N3S and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-methyl-10H-pyrazolo[3,4-b]phenothiazine.

Molecular Properties

Compound Name1-methyl-10H-pyrazolo[3,4-b]phenothiazine
PubChem CID135506169
Molecular FormulaC14H11N3S
Molecular Weight253.33 g/mol
Exact Mass253.07
IUPAC Name1-methyl-10H-pyrazolo[3,4-b]phenothiazine
SMILESCn1ncc2cc3c(cc21)Nc1ccccc1S3
InChIInChI=1S/C14H11N3S/c1-17-12-7-11-14(6-9(12)8-15-17)18-13-5-3-2-4-10(13)16-11/h2-8,16H,1H3
InChIKeyWENNVZFLMINNNJ-UHFFFAOYSA-N
XLogP3.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-10H-pyrazolo[3,4-b]phenothiazine?
The IUPAC name of 1-methyl-10H-pyrazolo[3,4-b]phenothiazine (CID 135506169) is 1-methyl-10H-pyrazolo[3,4-b]phenothiazine.
What is the SMILES notation for 1-methyl-10H-pyrazolo[3,4-b]phenothiazine?
The canonical SMILES for 1-methyl-10H-pyrazolo[3,4-b]phenothiazine is Cn1ncc2cc3c(cc21)Nc1ccccc1S3.
What is the InChIKey of 1-methyl-10H-pyrazolo[3,4-b]phenothiazine?
The InChIKey is WENNVZFLMINNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S/c1-17-12-7-11-14(6-9(12)8-15-17)18-13-5-3-2-4-10(13)16-11/h2-8,16H,1H3.
What are the key properties of 1-methyl-10H-pyrazolo[3,4-b]phenothiazine?
1-methyl-10H-pyrazolo[3,4-b]phenothiazine has a molecular weight of 253.33 g/mol, XLogP of 3.78, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-10H-pyrazolo[3,4-b]phenothiazine is sourced from PubChem (CID 135506169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).