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

C19H12N6S — CID 133434118

IUPAC6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)nn1
InChIInChI=1S/C19H12N6S/c20-13-15-11-12-17(22-21-15)26-19-24-23-18(14-7-3-1-4-8-14)25(19)16-9-5-2-6-10-16/h1-12H
InChIKeyLCTKWVHNAVJAIK-UHFFFAOYSA-N
MW356.41 g/mol
LogP3.75
Rot. Bonds4

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

6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile (PubChem CID 133434118) has the molecular formula C19H12N6S and a molecular weight of 356.41 g/mol. Its IUPAC name is 6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile
PubChem CID133434118
Molecular FormulaC19H12N6S
Molecular Weight356.41 g/mol
Exact Mass356.08
IUPAC Name6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)nn1
InChIInChI=1S/C19H12N6S/c20-13-15-11-12-17(22-21-15)26-19-24-23-18(14-7-3-1-4-8-14)25(19)16-9-5-2-6-10-16/h1-12H
InChIKeyLCTKWVHNAVJAIK-UHFFFAOYSA-N
XLogP3.75
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]pyridazine-3-carbonitrile
CID 133434098
6-[[5-(4-chlorophenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]pyridazine-3-carbonitrile
CID 133433030
6-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyridazine-3-carbonitrile
CID 133432992
6-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]pyridazine-3-carbonitrile
CID 133432753
6-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile
CID 133433001
6-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carbonitrile
CID 133391894
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-3-phenylpropanenitrile
CID 4858632
(2S)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-3-phenylpropanenitrile
CID 40647109
3-ethylsulfanyl-4,5-diphenyl-1,2,4-triazole
CID 893283
(2S)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 2601397
6-[[4-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]pyridazine-3-carbonitrile
CID 133434106
6-[[4-benzyl-5-(5-bromofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pyridazine-3-carbonitrile
CID 133433026

Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile (CID 133434118) is 6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile is N#Cc1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)nn1.
What is the InChIKey of 6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile?
The InChIKey is LCTKWVHNAVJAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N6S/c20-13-15-11-12-17(22-21-15)26-19-24-23-18(14-7-3-1-4-8-14)25(19)16-9-5-2-6-10-16/h1-12H.
What are the key properties of 6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile?
6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile has a molecular weight of 356.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile is sourced from PubChem (CID 133434118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).