3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carbonitrile

C10H8N6OS — CID 80515832

IUPAC3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1Sc1n[nH]c(=O)n1C1CC1
InChIInChI=1S/C10H8N6OS/c11-5-6-3-4-12-13-8(6)18-10-15-14-9(17)16(10)7-1-2-7/h3-4,7H,1-2H2,(H,14,17)
InChIKeyAMEITXRKYFSUSR-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.72
Rot. Bonds3

About 3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carbonitrile

3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carbonitrile (PubChem CID 80515832) has the molecular formula C10H8N6OS and a molecular weight of 260.28 g/mol. Its IUPAC name is 3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carbonitrile
PubChem CID80515832
Molecular FormulaC10H8N6OS
Molecular Weight260.28 g/mol
Exact Mass260.05
IUPAC Name3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1Sc1n[nH]c(=O)n1C1CC1
InChIInChI=1S/C10H8N6OS/c11-5-6-3-4-12-13-8(6)18-10-15-14-9(17)16(10)7-1-2-7/h3-4,7H,1-2H2,(H,14,17)
InChIKeyAMEITXRKYFSUSR-UHFFFAOYSA-N
XLogP0.72
TPSA100.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

3-chloro-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide
CID 136739865
3-(2-aminophenyl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 62882476
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid
CID 62882110
4-cyclopropyl-3-(5-iodopyrimidin-4-yl)sulfanyl-1H-1,2,4-triazol-5-one
CID 66318503
4-cyclopropyl-3-(2,5-dichloropyrimidin-4-yl)sulfanyl-1H-1,2,4-triazol-5-one
CID 79632743
4-cyclopropyl-3-(3-oxocyclopenten-1-yl)sulfanyl-1H-1,2,4-triazol-5-one
CID 104788125
4-cyclopropyl-3-[5-(hydroxymethyl)pyrimidin-2-yl]sulfanyl-1H-1,2,4-triazol-5-one
CID 113388745
3-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 79076316
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-4-carboxylic acid
CID 107555225
(2R)-N-(3-chloro-4-cyanophenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8889944
4-cyclopropyl-3-(6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanyl-1H-1,2,4-triazol-5-one
CID 80929023
3-(2-amino-3-chlorophenyl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 104835606

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carbonitrile?
The IUPAC name of 3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carbonitrile (CID 80515832) is 3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carbonitrile is N#Cc1ccnnc1Sc1n[nH]c(=O)n1C1CC1.
What is the InChIKey of 3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carbonitrile?
The InChIKey is AMEITXRKYFSUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6OS/c11-5-6-3-4-12-13-8(6)18-10-15-14-9(17)16(10)7-1-2-7/h3-4,7H,1-2H2,(H,14,17).
What are the key properties of 3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carbonitrile?
3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carbonitrile has a molecular weight of 260.28 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carbonitrile is sourced from PubChem (CID 80515832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).