5-(thiadiazol-4-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione

C11H9N5O2S — CID 43663890

IUPAC5-(thiadiazol-4-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione
SMILESO=c1[nH][nH]c(=O)c2c(NCc3csnn3)cccc12
InChIInChI=1S/C11H9N5O2S/c17-10-7-2-1-3-8(9(7)11(18)15-14-10)12-4-6-5-19-16-13-6/h1-3,5,12H,4H2,(H,14,17)(H,15,18)
InChIKeyWJRXRZOLIKBOJI-UHFFFAOYSA-N
MW275.29 g/mol
LogP0.68
Rot. Bonds3

About 5-(thiadiazol-4-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione

5-(thiadiazol-4-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione (PubChem CID 43663890) has the molecular formula C11H9N5O2S and a molecular weight of 275.29 g/mol. Its IUPAC name is 5-(thiadiazol-4-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione.

Molecular Properties

Compound Name5-(thiadiazol-4-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione
PubChem CID43663890
Molecular FormulaC11H9N5O2S
Molecular Weight275.29 g/mol
Exact Mass275.05
IUPAC Name5-(thiadiazol-4-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione
SMILESO=c1[nH][nH]c(=O)c2c(NCc3csnn3)cccc12
InChIInChI=1S/C11H9N5O2S/c17-10-7-2-1-3-8(9(7)11(18)15-14-10)12-4-6-5-19-16-13-6/h1-3,5,12H,4H2,(H,14,17)(H,15,18)
InChIKeyWJRXRZOLIKBOJI-UHFFFAOYSA-N
XLogP0.68
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,3-thiazol-5-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione
CID 55110287
5-(hydroxymethylamino)-2,3-dihydrophthalazine-1,4-dione
CID 11521306
N-(thiadiazol-4-ylmethyl)-1H-indazol-4-amine
CID 60931620
2-chloro-N-(thiadiazol-4-ylmethyl)aniline
CID 43663914
2-fluoro-3-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 115904338
N-(thiadiazol-4-ylmethyl)-1H-indazol-7-amine
CID 43731041
5-(bromoamino)-2,3-dihydrophthalazine-1,4-dione
CID 11586922
2-(thiadiazol-4-ylmethylamino)benzonitrile
CID 43663908
2,6-difluoro-N-(thiadiazol-4-ylmethyl)aniline
CID 43664102
2-[(dimethylamino)methyl]-N-(thiadiazol-4-ylmethyl)aniline
CID 43750220
5-(propoxyamino)-2,3-dihydrophthalazine-1,4-dione
CID 11557718
2-(diethylaminomethyl)-N-(thiadiazol-4-ylmethyl)aniline
CID 43729358

Frequently Asked Questions

What is the IUPAC name of 5-(thiadiazol-4-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione?
The IUPAC name of 5-(thiadiazol-4-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione (CID 43663890) is 5-(thiadiazol-4-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione.
What is the SMILES notation for 5-(thiadiazol-4-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione?
The canonical SMILES for 5-(thiadiazol-4-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione is O=c1[nH][nH]c(=O)c2c(NCc3csnn3)cccc12.
What is the InChIKey of 5-(thiadiazol-4-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione?
The InChIKey is WJRXRZOLIKBOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2S/c17-10-7-2-1-3-8(9(7)11(18)15-14-10)12-4-6-5-19-16-13-6/h1-3,5,12H,4H2,(H,14,17)(H,15,18).
What are the key properties of 5-(thiadiazol-4-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione?
5-(thiadiazol-4-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione has a molecular weight of 275.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiadiazol-4-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione is sourced from PubChem (CID 43663890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).