5-(cyclobutylamino)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one

C13H16N4OS — CID 103220663

IUPAC5-(cyclobutylamino)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one
SMILESCc1csc(Cn2ncc(NC3CCC3)cc2=O)n1
InChIInChI=1S/C13H16N4OS/c1-9-8-19-12(15-9)7-17-13(18)5-11(6-14-17)16-10-3-2-4-10/h5-6,8,10,16H,2-4,7H2,1H3
InChIKeyDUNOPUUHGIIMBL-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.02
Rot. Bonds4

About 5-(cyclobutylamino)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one

5-(cyclobutylamino)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one (PubChem CID 103220663) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-(cyclobutylamino)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclobutylamino)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one
PubChem CID103220663
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name5-(cyclobutylamino)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one
SMILESCc1csc(Cn2ncc(NC3CCC3)cc2=O)n1
InChIInChI=1S/C13H16N4OS/c1-9-8-19-12(15-9)7-17-13(18)5-11(6-14-17)16-10-3-2-4-10/h5-6,8,10,16H,2-4,7H2,1H3
InChIKeyDUNOPUUHGIIMBL-UHFFFAOYSA-N
XLogP2.02
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(methylamino)ethylamino]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one
CID 103223693
5-(cyclobutylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one
CID 103220632
5-(cyclobutylamino)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridazin-3-one
CID 103220735
5-(cyclobutylamino)-2-(cyclopentylmethyl)pyridazin-3-one
CID 103220561
5-(cyclobutylamino)-2-nonylpyridazin-3-one
CID 103220396
5-(cyclobutylamino)-2-[2-(diethylamino)ethyl]pyridazin-3-one
CID 103220509
2-[(3-chlorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one
CID 103220548
5-(cyclobutylamino)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one
CID 103220440
5-(cyclobutylamino)-2-[(2,4-dichlorophenyl)methyl]pyridazin-3-one
CID 103220558
2-[(3-bromophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one
CID 103220543
5-(cyclobutylamino)-2-(3-methylsulfonylpropyl)pyridazin-3-one
CID 103220699
5-(cyclopropylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one
CID 103219921

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylamino)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(cyclobutylamino)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one (CID 103220663) is 5-(cyclobutylamino)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(cyclobutylamino)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(cyclobutylamino)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one is Cc1csc(Cn2ncc(NC3CCC3)cc2=O)n1.
What is the InChIKey of 5-(cyclobutylamino)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one?
The InChIKey is DUNOPUUHGIIMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9-8-19-12(15-9)7-17-13(18)5-11(6-14-17)16-10-3-2-4-10/h5-6,8,10,16H,2-4,7H2,1H3.
What are the key properties of 5-(cyclobutylamino)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one?
5-(cyclobutylamino)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one has a molecular weight of 276.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylamino)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103220663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).