4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-6-methyl-2-(2-methylpropyl)pyridazin-3-one

C13H19N5OS — CID 82442898

IUPAC4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-6-methyl-2-(2-methylpropyl)pyridazin-3-one
SMILESCCNc1nnc(-c2cc(C)nn(CC(C)C)c2=O)s1
InChIInChI=1S/C13H19N5OS/c1-5-14-13-16-15-11(20-13)10-6-9(4)17-18(12(10)19)7-8(2)3/h6,8H,5,7H2,1-4H3,(H,14,16)
InChIKeyAXYMIEFAGJPXFQ-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.16
Rot. Bonds5

About 4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-6-methyl-2-(2-methylpropyl)pyridazin-3-one

4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-6-methyl-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 82442898) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-6-methyl-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-6-methyl-2-(2-methylpropyl)pyridazin-3-one
PubChem CID82442898
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-6-methyl-2-(2-methylpropyl)pyridazin-3-one
SMILESCCNc1nnc(-c2cc(C)nn(CC(C)C)c2=O)s1
InChIInChI=1S/C13H19N5OS/c1-5-14-13-16-15-11(20-13)10-6-9(4)17-18(12(10)19)7-8(2)3/h6,8H,5,7H2,1-4H3,(H,14,16)
InChIKeyAXYMIEFAGJPXFQ-UHFFFAOYSA-N
XLogP2.16
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-6-methyl-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-6-methyl-2-(2-methylpropyl)pyridazin-3-one (CID 82442898) is 4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-6-methyl-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-6-methyl-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-6-methyl-2-(2-methylpropyl)pyridazin-3-one is CCNc1nnc(-c2cc(C)nn(CC(C)C)c2=O)s1.
What is the InChIKey of 4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-6-methyl-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is AXYMIEFAGJPXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-5-14-13-16-15-11(20-13)10-6-9(4)17-18(12(10)19)7-8(2)3/h6,8H,5,7H2,1-4H3,(H,14,16).
What are the key properties of 4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-6-methyl-2-(2-methylpropyl)pyridazin-3-one?
4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-6-methyl-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 293.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-6-methyl-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 82442898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).