3-[methyl(thiolan-3-yl)amino]pyridazine-4-carbonitrile

C10H12N4S — CID 80509474

IUPAC3-[methyl(thiolan-3-yl)amino]pyridazine-4-carbonitrile
SMILESCN(c1nnccc1C#N)C1CCSC1
InChIInChI=1S/C10H12N4S/c1-14(9-3-5-15-7-9)10-8(6-11)2-4-12-13-10/h2,4,9H,3,5,7H2,1H3
InChIKeyUCAANFHGYMXXDK-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.29
Rot. Bonds2

About 3-[methyl(thiolan-3-yl)amino]pyridazine-4-carbonitrile

3-[methyl(thiolan-3-yl)amino]pyridazine-4-carbonitrile (PubChem CID 80509474) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 3-[methyl(thiolan-3-yl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[methyl(thiolan-3-yl)amino]pyridazine-4-carbonitrile
PubChem CID80509474
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name3-[methyl(thiolan-3-yl)amino]pyridazine-4-carbonitrile
SMILESCN(c1nnccc1C#N)C1CCSC1
InChIInChI=1S/C10H12N4S/c1-14(9-3-5-15-7-9)10-8(6-11)2-4-12-13-10/h2,4,9H,3,5,7H2,1H3
InChIKeyUCAANFHGYMXXDK-UHFFFAOYSA-N
XLogP1.29
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(thiolan-3-yl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[methyl(thiolan-3-yl)amino]pyridazine-4-carbonitrile (CID 80509474) is 3-[methyl(thiolan-3-yl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[methyl(thiolan-3-yl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[methyl(thiolan-3-yl)amino]pyridazine-4-carbonitrile is CN(c1nnccc1C#N)C1CCSC1.
What is the InChIKey of 3-[methyl(thiolan-3-yl)amino]pyridazine-4-carbonitrile?
The InChIKey is UCAANFHGYMXXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-14(9-3-5-15-7-9)10-8(6-11)2-4-12-13-10/h2,4,9H,3,5,7H2,1H3.
What are the key properties of 3-[methyl(thiolan-3-yl)amino]pyridazine-4-carbonitrile?
3-[methyl(thiolan-3-yl)amino]pyridazine-4-carbonitrile has a molecular weight of 220.30 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(thiolan-3-yl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80509474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).