1-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-indazol-4-one

C10H10N4OS — CID 66489465

IUPAC1-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-indazol-4-one
SMILESCc1nnc(-n2ncc3c2CCCC3=O)s1
InChIInChI=1S/C10H10N4OS/c1-6-12-13-10(16-6)14-8-3-2-4-9(15)7(8)5-11-14/h5H,2-4H2,1H3
InChIKeyNNBANZPUYNBAGR-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.55
Rot. Bonds1

About 1-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-indazol-4-one

1-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 66489465) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-indazol-4-one
PubChem CID66489465
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-indazol-4-one
SMILESCc1nnc(-n2ncc3c2CCCC3=O)s1
InChIInChI=1S/C10H10N4OS/c1-6-12-13-10(16-6)14-8-3-2-4-9(15)7(8)5-11-14/h5H,2-4H2,1H3
InChIKeyNNBANZPUYNBAGR-UHFFFAOYSA-N
XLogP1.55
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-oxo-6,7-dihydro-5H-indazole-1-carboximidamide;hydrochloride
CID 354982
4-oxo-6,7-dihydro-5H-indazole-1-carboximidamide
CID 354983
1-[5-Methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]ethanone
CID 66489512
1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-5H-indazol-4-one
CID 82590894

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-indazol-4-one (CID 66489465) is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-indazol-4-one is Cc1nnc(-n2ncc3c2CCCC3=O)s1.
What is the InChIKey of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is NNBANZPUYNBAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c1-6-12-13-10(16-6)14-8-3-2-4-9(15)7(8)5-11-14/h5H,2-4H2,1H3.
What are the key properties of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-indazol-4-one?
1-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 234.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 66489465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).