3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carbonitrile

C9H7N5S — CID 80509682

IUPAC3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCc1cscn1
InChIInChI=1S/C9H7N5S/c10-3-7-1-2-13-14-9(7)11-4-8-5-15-6-12-8/h1-2,5-6H,4H2,(H,11,14)
InChIKeyFYKBJPFMSJVZEE-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.42
Rot. Bonds3

About 3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carbonitrile

3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carbonitrile (PubChem CID 80509682) has the molecular formula C9H7N5S and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carbonitrile
PubChem CID80509682
Molecular FormulaC9H7N5S
Molecular Weight217.26 g/mol
Exact Mass217.04
IUPAC Name3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCc1cscn1
InChIInChI=1S/C9H7N5S/c10-3-7-1-2-13-14-9(7)11-4-8-5-15-6-12-8/h1-2,5-6H,4H2,(H,11,14)
InChIKeyFYKBJPFMSJVZEE-UHFFFAOYSA-N
XLogP1.42
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-2-(1,3-thiazol-4-ylmethylamino)pyridine-4-carbonitrile
CID 107057764
3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carboxylic acid
CID 80516563
4-[[(4-cyanopyridazin-3-yl)amino]methyl]benzoic acid
CID 80507966
3-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-4-carbonitrile
CID 80510270
2-[[(4-cyanopyridazin-3-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 80508268
2-chloro-5-(1,3-thiazol-4-ylmethylamino)benzonitrile
CID 60721480
3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509420
3-(furan-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80508635
3-[(2-ethylphenyl)methylamino]pyridazine-4-carbonitrile
CID 80509735
3-[(3,4-dimethoxyphenyl)methylamino]pyridazine-4-carbonitrile
CID 80509293
4-(1,3-thiazol-4-ylmethylamino)quinoline-3-carbonitrile
CID 55258412
5-nitro-2-(1,3-thiazol-4-ylmethylamino)benzonitrile
CID 55149859

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carbonitrile?
The IUPAC name of 3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carbonitrile (CID 80509682) is 3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carbonitrile is N#Cc1ccnnc1NCc1cscn1.
What is the InChIKey of 3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carbonitrile?
The InChIKey is FYKBJPFMSJVZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5S/c10-3-7-1-2-13-14-9(7)11-4-8-5-15-6-12-8/h1-2,5-6H,4H2,(H,11,14).
What are the key properties of 3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carbonitrile?
3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carbonitrile has a molecular weight of 217.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80509682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).