3-[1-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile

C11H11N5S — CID 80509803

IUPAC3-[1-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile
SMILESCCC(Nc1nnccc1C#N)c1nccs1
InChIInChI=1S/C11H11N5S/c1-2-9(11-13-5-6-17-11)15-10-8(7-12)3-4-14-16-10/h3-6,9H,2H2,1H3,(H,15,16)
InChIKeyLFWLRMNOBMUESD-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.37
Rot. Bonds4

About 3-[1-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile

3-[1-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile (PubChem CID 80509803) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 3-[1-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[1-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile
PubChem CID80509803
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name3-[1-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile
SMILESCCC(Nc1nnccc1C#N)c1nccs1
InChIInChI=1S/C11H11N5S/c1-2-9(11-13-5-6-17-11)15-10-8(7-12)3-4-14-16-10/h3-6,9H,2H2,1H3,(H,15,16)
InChIKeyLFWLRMNOBMUESD-UHFFFAOYSA-N
XLogP2.37
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[1-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile (CID 80509803) is 3-[1-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[1-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[1-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile is CCC(Nc1nnccc1C#N)c1nccs1.
What is the InChIKey of 3-[1-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile?
The InChIKey is LFWLRMNOBMUESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-2-9(11-13-5-6-17-11)15-10-8(7-12)3-4-14-16-10/h3-6,9H,2H2,1H3,(H,15,16).
What are the key properties of 3-[1-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile?
3-[1-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile has a molecular weight of 245.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80509803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).