2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one

C14H17N5OS — CID 126923210

IUPAC2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CCCN1c1nnc(C2CC2)s1
InChIInChI=1S/C14H17N5OS/c20-12-4-1-7-15-19(12)9-11-3-2-8-18(11)14-17-16-13(21-14)10-5-6-10/h1,4,7,10-11H,2-3,5-6,8-9H2
InChIKeyOENFFUQHTIPMSA-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.64
Rot. Bonds4

About 2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one

2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923210) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923210
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CCCN1c1nnc(C2CC2)s1
InChIInChI=1S/C14H17N5OS/c20-12-4-1-7-15-19(12)9-11-3-2-8-18(11)14-17-16-13(21-14)10-5-6-10/h1,4,7,10-11H,2-3,5-6,8-9H2
InChIKeyOENFFUQHTIPMSA-UHFFFAOYSA-N
XLogP1.64
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923353
2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126923152
2-[(1-pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126923329
2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923364
2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923368
2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923176
2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923300
2-(cyclopropylmethyl)pyridazin-3-one
CID 72682825
2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923128
2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923085
2-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923308
2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923188

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923210) is 2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one is O=c1cccnn1CC1CCCN1c1nnc(C2CC2)s1.
What is the InChIKey of 2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is OENFFUQHTIPMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c20-12-4-1-7-15-19(12)9-11-3-2-8-18(11)14-17-16-13(21-14)10-5-6-10/h1,4,7,10-11H,2-3,5-6,8-9H2.
What are the key properties of 2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 303.39 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).