3-[1-(4-propylthiadiazole-5-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile

C15H16N6O2S — CID 91626791

IUPAC3-[1-(4-propylthiadiazole-5-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESCCCc1nnsc1C(=O)N1CCC(Oc2nccnc2C#N)C1
InChIInChI=1S/C15H16N6O2S/c1-2-3-11-13(24-20-19-11)15(22)21-7-4-10(9-21)23-14-12(8-16)17-5-6-18-14/h5-6,10H,2-4,7,9H2,1H3
InChIKeyQHCJCIJQGIFSNS-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.45
Rot. Bonds5

About 3-[1-(4-propylthiadiazole-5-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile

3-[1-(4-propylthiadiazole-5-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 91626791) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is 3-[1-(4-propylthiadiazole-5-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[1-(4-propylthiadiazole-5-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID91626791
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC Name3-[1-(4-propylthiadiazole-5-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESCCCc1nnsc1C(=O)N1CCC(Oc2nccnc2C#N)C1
InChIInChI=1S/C15H16N6O2S/c1-2-3-11-13(24-20-19-11)15(22)21-7-4-10(9-21)23-14-12(8-16)17-5-6-18-14/h5-6,10H,2-4,7,9H2,1H3
InChIKeyQHCJCIJQGIFSNS-UHFFFAOYSA-N
XLogP1.45
TPSA104.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(1-butanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 90636477
3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 90636478
3-[1-(2-ethoxypyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626812
3-[1-(isoquinoline-1-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626816
3-[1-(3,4-dimethoxybenzoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636515
3-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626783
3-[(3R)-1-(2-methylpyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755756
3-[1-(3-bromobenzoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636527
3-[(3S)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755951
3-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100754469
3-[(3R)-1-[(2R)-2-phenylbutanoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100754753
3-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626740

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-propylthiadiazole-5-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[1-(4-propylthiadiazole-5-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile (CID 91626791) is 3-[1-(4-propylthiadiazole-5-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[1-(4-propylthiadiazole-5-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[1-(4-propylthiadiazole-5-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile is CCCc1nnsc1C(=O)N1CCC(Oc2nccnc2C#N)C1.
What is the InChIKey of 3-[1-(4-propylthiadiazole-5-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is QHCJCIJQGIFSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c1-2-3-11-13(24-20-19-11)15(22)21-7-4-10(9-21)23-14-12(8-16)17-5-6-18-14/h5-6,10H,2-4,7,9H2,1H3.
What are the key properties of 3-[1-(4-propylthiadiazole-5-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
3-[1-(4-propylthiadiazole-5-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 344.40 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-propylthiadiazole-5-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 91626791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).