3-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-4-carbonitrile

C10H9N5S — CID 80510270

IUPAC3-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-4-carbonitrile
SMILESCN(Cc1cscn1)c1nnccc1C#N
InChIInChI=1S/C10H9N5S/c1-15(5-9-6-16-7-12-9)10-8(4-11)2-3-13-14-10/h2-3,6-7H,5H2,1H3
InChIKeyRSZZKOGTRHDRHU-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.44
Rot. Bonds3

About 3-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-4-carbonitrile

3-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-4-carbonitrile (PubChem CID 80510270) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is 3-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-4-carbonitrile
PubChem CID80510270
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC Name3-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-4-carbonitrile
SMILESCN(Cc1cscn1)c1nnccc1C#N
InChIInChI=1S/C10H9N5S/c1-15(5-9-6-16-7-12-9)10-8(4-11)2-3-13-14-10/h2-3,6-7H,5H2,1H3
InChIKeyRSZZKOGTRHDRHU-UHFFFAOYSA-N
XLogP1.44
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-4-carbonitrile (CID 80510270) is 3-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-4-carbonitrile is CN(Cc1cscn1)c1nnccc1C#N.
What is the InChIKey of 3-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-4-carbonitrile?
The InChIKey is RSZZKOGTRHDRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c1-15(5-9-6-16-7-12-9)10-8(4-11)2-3-13-14-10/h2-3,6-7H,5H2,1H3.
What are the key properties of 3-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-4-carbonitrile?
3-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-4-carbonitrile has a molecular weight of 231.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80510270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).