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

C11H15N5OS — CID 82442595

IUPAC3-methyl-5-[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]-1H-pyridazin-6-one
SMILESCc1cc(-c2nnc(NCC(C)C)s2)c(=O)[nH]n1
InChIInChI=1S/C11H15N5OS/c1-6(2)5-12-11-16-15-10(18-11)8-4-7(3)13-14-9(8)17/h4,6H,5H2,1-3H3,(H,12,16)(H,14,17)
InChIKeyPGFJJXQJQJQFEL-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.66
Rot. Bonds4

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

3-methyl-5-[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]-1H-pyridazin-6-one (PubChem CID 82442595) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-methyl-5-[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-methyl-5-[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]-1H-pyridazin-6-one
PubChem CID82442595
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name3-methyl-5-[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]-1H-pyridazin-6-one
SMILESCc1cc(-c2nnc(NCC(C)C)s2)c(=O)[nH]n1
InChIInChI=1S/C11H15N5OS/c1-6(2)5-12-11-16-15-10(18-11)8-4-7(3)13-14-9(8)17/h4,6H,5H2,1-3H3,(H,12,16)(H,14,17)
InChIKeyPGFJJXQJQJQFEL-UHFFFAOYSA-N
XLogP1.66
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-amino-1,3,4-thiadiazol-2-yl)-3-methyl-1H-pyridazin-6-one
CID 82442590
5-(2-methylphenyl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 18524386
4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-6-methyl-2-(2-methylpropyl)pyridazin-3-one
CID 82442898
2,6-dimethyl-4-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]pyridazin-3-one
CID 82442688
5-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 82435861
6-methyl-4-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-2-propylpyridazin-3-one
CID 82442832
N-(2-methylpropyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82422487
N-(2-methylpropyl)-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82425775
(2R)-3-[[5-(5-bromo-2-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]propane-1,2-diol
CID 99778666
N-(2-methylpropyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine
CID 63049372
(2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenylpropane-1,2-diamine
CID 67091331
6-methyl-5-(2-methylpropylamino)-2H-1,2,4-triazin-3-one
CID 4066351

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-methyl-5-[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]-1H-pyridazin-6-one (CID 82442595) is 3-methyl-5-[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-methyl-5-[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-methyl-5-[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]-1H-pyridazin-6-one is Cc1cc(-c2nnc(NCC(C)C)s2)c(=O)[nH]n1.
What is the InChIKey of 3-methyl-5-[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]-1H-pyridazin-6-one?
The InChIKey is PGFJJXQJQJQFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-6(2)5-12-11-16-15-10(18-11)8-4-7(3)13-14-9(8)17/h4,6H,5H2,1-3H3,(H,12,16)(H,14,17).
What are the key properties of 3-methyl-5-[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]-1H-pyridazin-6-one?
3-methyl-5-[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]-1H-pyridazin-6-one has a molecular weight of 265.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 82442595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).