3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carbonitrile

C10H11N3OS — CID 106494343

IUPAC3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1SCC1CCCO1
InChIInChI=1S/C10H11N3OS/c11-6-8-3-4-12-13-10(8)15-7-9-2-1-5-14-9/h3-4,9H,1-2,5,7H2
InChIKeyPNOYVQJDTBLJLS-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.62
Rot. Bonds3

About 3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carbonitrile

3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carbonitrile (PubChem CID 106494343) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carbonitrile
PubChem CID106494343
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1SCC1CCCO1
InChIInChI=1S/C10H11N3OS/c11-6-8-3-4-12-13-10(8)15-7-9-2-1-5-14-9/h3-4,9H,1-2,5,7H2
InChIKeyPNOYVQJDTBLJLS-UHFFFAOYSA-N
XLogP1.62
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2R)-oxolan-2-yl]methylsulfanyl]pyrazin-2-amine
CID 130831521
2-amino-4-(oxolan-2-ylmethylsulfanyl)benzonitrile
CID 106494047
3-(oxan-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80510609
3-bromo-2-(oxolan-2-ylmethylsulfanyl)pyridine
CID 103678592
2-bromo-6-(oxolan-2-ylmethylsulfanyl)benzonitrile
CID 106494363
4-(oxolan-2-ylmethylsulfanyl)aniline
CID 43299447
6-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine-4-carbonitrile
CID 107551519
2-[[(2S)-oxolan-2-yl]methylsulfanyl]pyridine-3-carboxylic acid
CID 40605283
2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494855
4-[(1R)-1-[[(2R)-oxolan-2-yl]methylsulfanyl]ethyl]benzonitrile
CID 124567227
2-[(4-phenylphenyl)sulfanylmethyl]oxolane
CID 60518989
6-chloro-2-(oxolan-2-ylmethylsulfanyl)pyridine-3-carboxylic acid
CID 106493760

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carbonitrile?
The IUPAC name of 3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carbonitrile (CID 106494343) is 3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carbonitrile is N#Cc1ccnnc1SCC1CCCO1.
What is the InChIKey of 3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carbonitrile?
The InChIKey is PNOYVQJDTBLJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c11-6-8-3-4-12-13-10(8)15-7-9-2-1-5-14-9/h3-4,9H,1-2,5,7H2.
What are the key properties of 3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carbonitrile?
3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carbonitrile has a molecular weight of 221.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carbonitrile is sourced from PubChem (CID 106494343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).