6-cyclopropyl-2-[[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one

C16H19N5O2S — CID 126923404

IUPAC6-cyclopropyl-2-[[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCc1nnsc1C(=O)N1CCCC1Cn1nc(C2CC2)ccc1=O
InChIInChI=1S/C16H19N5O2S/c1-10-15(24-19-17-10)16(23)20-8-2-3-12(20)9-21-14(22)7-6-13(18-21)11-4-5-11/h6-7,11-12H,2-5,8-9H2,1H3
InChIKeyDFFXWZAKYXHOGZ-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.59
Rot. Bonds4

About 6-cyclopropyl-2-[[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923404) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923404
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name6-cyclopropyl-2-[[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCc1nnsc1C(=O)N1CCCC1Cn1nc(C2CC2)ccc1=O
InChIInChI=1S/C16H19N5O2S/c1-10-15(24-19-17-10)16(23)20-8-2-3-12(20)9-21-14(22)7-6-13(18-21)11-4-5-11/h6-7,11-12H,2-5,8-9H2,1H3
InChIKeyDFFXWZAKYXHOGZ-UHFFFAOYSA-N
XLogP1.59
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclopropyl-2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923445
6-cyclopropyl-2-[[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923438
6-cyclopropyl-2-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923415
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 115316269
N-cyclopentyl-2-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]pyrrolidine-1-carboxamide
CID 126923428
1-(4-fluorophenyl)-2-[(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]ethanone
CID 124623314
[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 99796063
2-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863401
[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 129356851
2-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926021
2-[[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924276
6-cyclopropyl-2-[[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923570

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923404) is 6-cyclopropyl-2-[[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one is Cc1nnsc1C(=O)N1CCCC1Cn1nc(C2CC2)ccc1=O.
What is the InChIKey of 6-cyclopropyl-2-[[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is DFFXWZAKYXHOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-10-15(24-19-17-10)16(23)20-8-2-3-12(20)9-21-14(22)7-6-13(18-21)11-4-5-11/h6-7,11-12H,2-5,8-9H2,1H3.
What are the key properties of 6-cyclopropyl-2-[[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 345.43 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).