2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-pyridin-2-ylpyridazin-3-one

C13H12N6OS — CID 82444689

IUPAC2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-pyridin-2-ylpyridazin-3-one
SMILESCNc1nnc(-c2cc(-c3ccccn3)nn(C)c2=O)s1
InChIInChI=1S/C13H12N6OS/c1-14-13-17-16-11(21-13)8-7-10(18-19(2)12(8)20)9-5-3-4-6-15-9/h3-7H,1-2H3,(H,14,17)
InChIKeyGCPIDYLUOZTUSU-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.40
Rot. Bonds3

About 2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-pyridin-2-ylpyridazin-3-one

2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-pyridin-2-ylpyridazin-3-one (PubChem CID 82444689) has the molecular formula C13H12N6OS and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-pyridin-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-pyridin-2-ylpyridazin-3-one
PubChem CID82444689
Molecular FormulaC13H12N6OS
Molecular Weight300.35 g/mol
Exact Mass300.08
IUPAC Name2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-pyridin-2-ylpyridazin-3-one
SMILESCNc1nnc(-c2cc(-c3ccccn3)nn(C)c2=O)s1
InChIInChI=1S/C13H12N6OS/c1-14-13-17-16-11(21-13)8-7-10(18-19(2)12(8)20)9-5-3-4-6-15-9/h3-7H,1-2H3,(H,14,17)
InChIKeyGCPIDYLUOZTUSU-UHFFFAOYSA-N
XLogP1.40
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-propan-2-ylpyridazin-3-one
CID 82443164
4-(2-aminopropan-2-yl)-2-methyl-6-pyridin-2-ylpyridazin-3-one
CID 82444681
N-methyl-5-(2-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine
CID 82452060
N-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133468186
5-(3-amino-2-pyridinyl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 135397018
2-(methylamino)-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 170993600
N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 155913126
5-(2-aminoethyl)-4-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271260
5-bromo-1-methyl-3-pyridin-2-ylindazole
CID 86700226
N-methyl-5-(2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine
CID 82447733
3-oxo-2-propyl-6-pyridin-2-ylpyridazine-4-carbothioamide
CID 82446995
2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride
CID 119855733

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-pyridin-2-ylpyridazin-3-one?
The IUPAC name of 2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-pyridin-2-ylpyridazin-3-one (CID 82444689) is 2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-pyridin-2-ylpyridazin-3-one.
What is the SMILES notation for 2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-pyridin-2-ylpyridazin-3-one?
The canonical SMILES for 2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-pyridin-2-ylpyridazin-3-one is CNc1nnc(-c2cc(-c3ccccn3)nn(C)c2=O)s1.
What is the InChIKey of 2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-pyridin-2-ylpyridazin-3-one?
The InChIKey is GCPIDYLUOZTUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS/c1-14-13-17-16-11(21-13)8-7-10(18-19(2)12(8)20)9-5-3-4-6-15-9/h3-7H,1-2H3,(H,14,17).
What are the key properties of 2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-pyridin-2-ylpyridazin-3-one?
2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-pyridin-2-ylpyridazin-3-one has a molecular weight of 300.35 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-pyridin-2-ylpyridazin-3-one is sourced from PubChem (CID 82444689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).