6-methyl-4-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-2-propylpyridazin-3-one

C13H19N5OS — CID 82442832

IUPAC6-methyl-4-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-2-propylpyridazin-3-one
SMILESCCCn1nc(C)cc(-c2nnc(NC(C)C)s2)c1=O
InChIInChI=1S/C13H19N5OS/c1-5-6-18-12(19)10(7-9(4)17-18)11-15-16-13(20-11)14-8(2)3/h7-8H,5-6H2,1-4H3,(H,14,16)
InChIKeyVEEWOLWVNAPTJY-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.30
Rot. Bonds5

About 6-methyl-4-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-2-propylpyridazin-3-one

6-methyl-4-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-2-propylpyridazin-3-one (PubChem CID 82442832) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 6-methyl-4-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-methyl-4-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-2-propylpyridazin-3-one
PubChem CID82442832
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name6-methyl-4-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-2-propylpyridazin-3-one
SMILESCCCn1nc(C)cc(-c2nnc(NC(C)C)s2)c1=O
InChIInChI=1S/C13H19N5OS/c1-5-6-18-12(19)10(7-9(4)17-18)11-15-16-13(20-11)14-8(2)3/h7-8H,5-6H2,1-4H3,(H,14,16)
InChIKeyVEEWOLWVNAPTJY-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-2-propylpyridazin-3-one?
The IUPAC name of 6-methyl-4-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-2-propylpyridazin-3-one (CID 82442832) is 6-methyl-4-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-2-propylpyridazin-3-one.
What is the SMILES notation for 6-methyl-4-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-2-propylpyridazin-3-one?
The canonical SMILES for 6-methyl-4-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-2-propylpyridazin-3-one is CCCn1nc(C)cc(-c2nnc(NC(C)C)s2)c1=O.
What is the InChIKey of 6-methyl-4-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-2-propylpyridazin-3-one?
The InChIKey is VEEWOLWVNAPTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-5-6-18-12(19)10(7-9(4)17-18)11-15-16-13(20-11)14-8(2)3/h7-8H,5-6H2,1-4H3,(H,14,16).
What are the key properties of 6-methyl-4-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-2-propylpyridazin-3-one?
6-methyl-4-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-2-propylpyridazin-3-one has a molecular weight of 293.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-2-propylpyridazin-3-one is sourced from PubChem (CID 82442832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).