(2R)-N-cycloheptyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide

C15H21N5OS — CID 41354115

IUPAC(2R)-N-cycloheptyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
SMILESC[C@@H](Sc1nc2ncccn2n1)C(=O)NC1CCCCCC1
InChIInChI=1S/C15H21N5OS/c1-11(13(21)17-12-7-4-2-3-5-8-12)22-15-18-14-16-9-6-10-20(14)19-15/h6,9-12H,2-5,7-8H2,1H3,(H,17,21)/t11-/m1/s1
InChIKeyFMDKKLUDJNYSBK-LLVKDONJSA-N
MW319.43 g/mol
LogP2.44
Rot. Bonds4

About (2R)-N-cycloheptyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide

(2R)-N-cycloheptyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide (PubChem CID 41354115) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is (2R)-N-cycloheptyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide.

Molecular Properties

Compound Name(2R)-N-cycloheptyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
PubChem CID41354115
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name(2R)-N-cycloheptyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
SMILESC[C@@H](Sc1nc2ncccn2n1)C(=O)NC1CCCCCC1
InChIInChI=1S/C15H21N5OS/c1-11(13(21)17-12-7-4-2-3-5-8-12)22-15-18-14-16-9-6-10-20(14)19-15/h6,9-12H,2-5,7-8H2,1H3,(H,17,21)/t11-/m1/s1
InChIKeyFMDKKLUDJNYSBK-LLVKDONJSA-N
XLogP2.44
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
CID 41351884
(2S)-1-(4-methylpiperidin-1-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propan-1-one
CID 41351870
(2R)-N-(ethylcarbamoyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
CID 40853802
N-(4-acetylphenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
CID 46675895
N-[(2-chlorophenyl)methyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
CID 42928937
N-[(1R,2R)-2-methylcyclohexyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 40895198
N-(4-chloro-2-methoxy-5-methylphenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
CID 42928939
(2R)-1-(4-tert-butylphenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propan-1-one
CID 41351728
ethyl 1-[(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanoyl]piperidine-4-carboxylate
CID 40812923
(2S)-1-(4-phenylpiperazin-1-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propan-1-one
CID 41354285
N-[2-[4-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanoyl]phenyl]ethyl]acetamide
CID 51294386
N-cyclopropyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
CID 4605105

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cycloheptyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide?
The IUPAC name of (2R)-N-cycloheptyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide (CID 41354115) is (2R)-N-cycloheptyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide.
What is the SMILES notation for (2R)-N-cycloheptyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide?
The canonical SMILES for (2R)-N-cycloheptyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide is C[C@@H](Sc1nc2ncccn2n1)C(=O)NC1CCCCCC1.
What is the InChIKey of (2R)-N-cycloheptyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide?
The InChIKey is FMDKKLUDJNYSBK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-11(13(21)17-12-7-4-2-3-5-8-12)22-15-18-14-16-9-6-10-20(14)19-15/h6,9-12H,2-5,7-8H2,1H3,(H,17,21)/t11-/m1/s1.
What are the key properties of (2R)-N-cycloheptyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide?
(2R)-N-cycloheptyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide has a molecular weight of 319.43 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cycloheptyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide is sourced from PubChem (CID 41354115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).