3-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine

C12H12ClN5S — CID 43243246

IUPAC3-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine
SMILESClc1ccc(Sc2nnc(C3CC3)n2C2CC2)nn1
InChIInChI=1S/C12H12ClN5S/c13-9-5-6-10(15-14-9)19-12-17-16-11(7-1-2-7)18(12)8-3-4-8/h5-8H,1-4H2
InChIKeySKIMTTRWZIUMPQ-UHFFFAOYSA-N
MW293.78 g/mol
LogP3.09
Rot. Bonds4

About 3-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine

3-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine (PubChem CID 43243246) has the molecular formula C12H12ClN5S and a molecular weight of 293.78 g/mol. Its IUPAC name is 3-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine
PubChem CID43243246
Molecular FormulaC12H12ClN5S
Molecular Weight293.78 g/mol
Exact Mass293.05
IUPAC Name3-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine
SMILESClc1ccc(Sc2nnc(C3CC3)n2C2CC2)nn1
InChIInChI=1S/C12H12ClN5S/c13-9-5-6-10(15-14-9)19-12-17-16-11(7-1-2-7)18(12)8-3-4-8/h5-8H,1-4H2
InChIKeySKIMTTRWZIUMPQ-UHFFFAOYSA-N
XLogP3.09
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine?
The IUPAC name of 3-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine (CID 43243246) is 3-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine is Clc1ccc(Sc2nnc(C3CC3)n2C2CC2)nn1.
What is the InChIKey of 3-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine?
The InChIKey is SKIMTTRWZIUMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5S/c13-9-5-6-10(15-14-9)19-12-17-16-11(7-1-2-7)18(12)8-3-4-8/h5-8H,1-4H2.
What are the key properties of 3-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine?
3-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine has a molecular weight of 293.78 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine is sourced from PubChem (CID 43243246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).