5-(2-methylpropylamino)-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one

C12H16N4OS — CID 103221517

IUPAC5-(2-methylpropylamino)-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one
SMILESCC(C)CNc1cnn(Cc2cncs2)c(=O)c1
InChIInChI=1S/C12H16N4OS/c1-9(2)4-14-10-3-12(17)16(15-5-10)7-11-6-13-8-18-11/h3,5-6,8-9,14H,4,7H2,1-2H3
InChIKeyJJNKRYCMWCGMSG-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.82
Rot. Bonds5

About 5-(2-methylpropylamino)-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one

5-(2-methylpropylamino)-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one (PubChem CID 103221517) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-(2-methylpropylamino)-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-methylpropylamino)-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one
PubChem CID103221517
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name5-(2-methylpropylamino)-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one
SMILESCC(C)CNc1cnn(Cc2cncs2)c(=O)c1
InChIInChI=1S/C12H16N4OS/c1-9(2)4-14-10-3-12(17)16(15-5-10)7-11-6-13-8-18-11/h3,5-6,8-9,14H,4,7H2,1-2H3
InChIKeyJJNKRYCMWCGMSG-UHFFFAOYSA-N
XLogP1.82
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one
CID 107313022
2-[2-(2-methylpropoxy)ethyl]-5-(2-methylpropylamino)pyridazin-3-one
CID 106460207
N-tert-butyl-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide
CID 103221610
5-(2-methylpropylamino)-2-(2-pyridin-3-ylethyl)pyridazin-3-one
CID 103221479
5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 103223530
5-[2-(methylamino)ethylamino]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one
CID 103223693
2-(1-benzothiophen-3-ylmethyl)-5-(ethylamino)pyridazin-3-one
CID 103218855
5-(ethylamino)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103219189
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220377
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 112640915
2-[(3,5-difluorophenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one
CID 103219479
5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one
CID 114397462

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropylamino)-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-(2-methylpropylamino)-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one (CID 103221517) is 5-(2-methylpropylamino)-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-methylpropylamino)-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-(2-methylpropylamino)-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one is CC(C)CNc1cnn(Cc2cncs2)c(=O)c1.
What is the InChIKey of 5-(2-methylpropylamino)-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one?
The InChIKey is JJNKRYCMWCGMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-9(2)4-14-10-3-12(17)16(15-5-10)7-11-6-13-8-18-11/h3,5-6,8-9,14H,4,7H2,1-2H3.
What are the key properties of 5-(2-methylpropylamino)-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one?
5-(2-methylpropylamino)-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one has a molecular weight of 264.35 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropylamino)-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 103221517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).