5-chloro-2-(cyclobutylmethyl)-4-[1-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one

C14H17ClN4OS — CID 114438773

IUPAC5-chloro-2-(cyclobutylmethyl)-4-[1-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one
SMILESCC(Nc1c(Cl)cnn(CC2CCC2)c1=O)c1nccs1
InChIInChI=1S/C14H17ClN4OS/c1-9(13-16-5-6-21-13)18-12-11(15)7-17-19(14(12)20)8-10-3-2-4-10/h5-7,9-10,18H,2-4,8H2,1H3
InChIKeyYRVSLHPKGULTLZ-UHFFFAOYSA-N
MW324.84 g/mol
LogP3.33
Rot. Bonds5

About 5-chloro-2-(cyclobutylmethyl)-4-[1-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one

5-chloro-2-(cyclobutylmethyl)-4-[1-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one (PubChem CID 114438773) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 5-chloro-2-(cyclobutylmethyl)-4-[1-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclobutylmethyl)-4-[1-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one
PubChem CID114438773
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name5-chloro-2-(cyclobutylmethyl)-4-[1-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one
SMILESCC(Nc1c(Cl)cnn(CC2CCC2)c1=O)c1nccs1
InChIInChI=1S/C14H17ClN4OS/c1-9(13-16-5-6-21-13)18-12-11(15)7-17-19(14(12)20)8-10-3-2-4-10/h5-7,9-10,18H,2-4,8H2,1H3
InChIKeyYRVSLHPKGULTLZ-UHFFFAOYSA-N
XLogP3.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-[1-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-[1-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one (CID 114438773) is 5-chloro-2-(cyclobutylmethyl)-4-[1-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclobutylmethyl)-4-[1-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclobutylmethyl)-4-[1-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one is CC(Nc1c(Cl)cnn(CC2CCC2)c1=O)c1nccs1.
What is the InChIKey of 5-chloro-2-(cyclobutylmethyl)-4-[1-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one?
The InChIKey is YRVSLHPKGULTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-9(13-16-5-6-21-13)18-12-11(15)7-17-19(14(12)20)8-10-3-2-4-10/h5-7,9-10,18H,2-4,8H2,1H3.
What are the key properties of 5-chloro-2-(cyclobutylmethyl)-4-[1-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one?
5-chloro-2-(cyclobutylmethyl)-4-[1-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one has a molecular weight of 324.84 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclobutylmethyl)-4-[1-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 114438773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).