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

C15H13N7S — CID 133433001

IUPAC6-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile
SMILESCCCn1c(Sc2ccc(C#N)nn2)nnc1-c1ccncc1
InChIInChI=1S/C15H13N7S/c1-2-9-22-14(11-5-7-17-8-6-11)20-21-15(22)23-13-4-3-12(10-16)18-19-13/h3-8H,2,9H2,1H3
InChIKeyLUOBOEOWRJOLPX-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.56
Rot. Bonds5

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

6-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile (PubChem CID 133433001) has the molecular formula C15H13N7S and a molecular weight of 323.39 g/mol. Its IUPAC name is 6-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile
PubChem CID133433001
Molecular FormulaC15H13N7S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC Name6-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile
SMILESCCCn1c(Sc2ccc(C#N)nn2)nnc1-c1ccncc1
InChIInChI=1S/C15H13N7S/c1-2-9-22-14(11-5-7-17-8-6-11)20-21-15(22)23-13-4-3-12(10-16)18-19-13/h3-8H,2,9H2,1H3
InChIKeyLUOBOEOWRJOLPX-UHFFFAOYSA-N
XLogP2.56
TPSA93.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

6-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyridazine-3-carbonitrile
CID 133432992
6-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]pyridazine-3-carbonitrile
CID 133434098
4-[5-(2-chloroprop-2-enylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]pyridine
CID 78790554
6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile
CID 133434118
N-propan-2-yl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 46811246
4-[5-(2-ethoxyethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]pyridine
CID 78790685
N-methyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7681843
(2S)-N-ethyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8601433
(2S)-N-(2-cyanophenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7681868
(2R)-N-phenyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7681860
N-(3-chloro-4-cyanophenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7363022
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine
CID 126122361

Frequently Asked Questions

What is the IUPAC name of 6-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile (CID 133433001) is 6-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile is CCCn1c(Sc2ccc(C#N)nn2)nnc1-c1ccncc1.
What is the InChIKey of 6-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile?
The InChIKey is LUOBOEOWRJOLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7S/c1-2-9-22-14(11-5-7-17-8-6-11)20-21-15(22)23-13-4-3-12(10-16)18-19-13/h3-8H,2,9H2,1H3.
What are the key properties of 6-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile?
6-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile has a molecular weight of 323.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile is sourced from PubChem (CID 133433001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).