1-methyl-6H-pyrazolo[4,5-c]phenothiazine

C14H11N3S — CID 638556

IUPAC1-methyl-6H-pyrazolo[4,5-c]phenothiazine
SMILESCn1ncc2ccc3c(c21)Sc1ccccc1N3
InChIInChI=1S/C14H11N3S/c1-17-13-9(8-15-17)6-7-11-14(13)18-12-5-3-2-4-10(12)16-11/h2-8,16H,1H3
InChIKeyBVTDLBPQFLIRKA-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.78
Rot. Bonds

About 1-methyl-6H-pyrazolo[4,5-c]phenothiazine

1-methyl-6H-pyrazolo[4,5-c]phenothiazine (PubChem CID 638556) has the molecular formula C14H11N3S and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-methyl-6H-pyrazolo[4,5-c]phenothiazine.

Molecular Properties

Compound Name1-methyl-6H-pyrazolo[4,5-c]phenothiazine
PubChem CID638556
Molecular FormulaC14H11N3S
Molecular Weight253.33 g/mol
Exact Mass253.07
IUPAC Name1-methyl-6H-pyrazolo[4,5-c]phenothiazine
SMILESCn1ncc2ccc3c(c21)Sc1ccccc1N3
InChIInChI=1S/C14H11N3S/c1-17-13-9(8-15-17)6-7-11-14(13)18-12-5-3-2-4-10(12)16-11/h2-8,16H,1H3
InChIKeyBVTDLBPQFLIRKA-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-6H-pyrazolo[4,5-c]phenothiazine?
The IUPAC name of 1-methyl-6H-pyrazolo[4,5-c]phenothiazine (CID 638556) is 1-methyl-6H-pyrazolo[4,5-c]phenothiazine.
What is the SMILES notation for 1-methyl-6H-pyrazolo[4,5-c]phenothiazine?
The canonical SMILES for 1-methyl-6H-pyrazolo[4,5-c]phenothiazine is Cn1ncc2ccc3c(c21)Sc1ccccc1N3.
What is the InChIKey of 1-methyl-6H-pyrazolo[4,5-c]phenothiazine?
The InChIKey is BVTDLBPQFLIRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S/c1-17-13-9(8-15-17)6-7-11-14(13)18-12-5-3-2-4-10(12)16-11/h2-8,16H,1H3.
What are the key properties of 1-methyl-6H-pyrazolo[4,5-c]phenothiazine?
1-methyl-6H-pyrazolo[4,5-c]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-6H-pyrazolo[4,5-c]phenothiazine is sourced from PubChem (CID 638556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).