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

C13H12N6S — CID 133434187

IUPAC6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(Sc2nnc(C3CC3)n2C2CC2)nn1
InChIInChI=1S/C13H12N6S/c14-7-9-3-6-11(16-15-9)20-13-18-17-12(8-1-2-8)19(13)10-4-5-10/h3,6,8,10H,1-2,4-5H2
InChIKeyOUOLTLVFSHEHRE-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.30
Rot. Bonds4

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

6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile (PubChem CID 133434187) has the molecular formula C13H12N6S and a molecular weight of 284.35 g/mol. Its IUPAC name is 6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile
PubChem CID133434187
Molecular FormulaC13H12N6S
Molecular Weight284.35 g/mol
Exact Mass284.08
IUPAC Name6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(Sc2nnc(C3CC3)n2C2CC2)nn1
InChIInChI=1S/C13H12N6S/c14-7-9-3-6-11(16-15-9)20-13-18-17-12(8-1-2-8)19(13)10-4-5-10/h3,6,8,10H,1-2,4-5H2
InChIKeyOUOLTLVFSHEHRE-UHFFFAOYSA-N
XLogP2.30
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine
CID 43243246
6-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]pyridazine-3-carbonitrile
CID 133434355
6-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pyridazine-3-carbonitrile
CID 133434093
3-chloro-5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1,2-thiazole-4-carbonitrile
CID 133427764
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methylpyridin-4-amine
CID 83267070
3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbonitrile
CID 62921467
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-6-fluoroaniline
CID 60789698
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-iodoaniline
CID 66082360
5-chloro-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]aniline
CID 28557061
2,6-dichloro-3-[(5-cyclobutyl-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridine
CID 130364508
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]cycloheptane-1-carbonitrile
CID 43293039
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-4-methylcyclohexane-1-carbonitrile
CID 43293038

Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile (CID 133434187) is 6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile is N#Cc1ccc(Sc2nnc(C3CC3)n2C2CC2)nn1.
What is the InChIKey of 6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile?
The InChIKey is OUOLTLVFSHEHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6S/c14-7-9-3-6-11(16-15-9)20-13-18-17-12(8-1-2-8)19(13)10-4-5-10/h3,6,8,10H,1-2,4-5H2.
What are the key properties of 6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile?
6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile has a molecular weight of 284.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile is sourced from PubChem (CID 133434187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).