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

C10H13N5OS — CID 37197978

IUPAC(2S)-N,N-dimethyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
SMILESC[C@H](Sc1nc2ncccn2n1)C(=O)N(C)C
InChIInChI=1S/C10H13N5OS/c1-7(8(16)14(2)3)17-10-12-9-11-5-4-6-15(9)13-10/h4-7H,1-3H3/t7-/m0/s1
InChIKeyZXLBRGBSUCCJOE-ZETCQYMHSA-N
MW251.32 g/mol
LogP0.69
Rot. Bonds3

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

(2S)-N,N-dimethyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide (PubChem CID 37197978) has the molecular formula C10H13N5OS and a molecular weight of 251.32 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
PubChem CID37197978
Molecular FormulaC10H13N5OS
Molecular Weight251.32 g/mol
Exact Mass251.08
IUPAC Name(2S)-N,N-dimethyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
SMILESC[C@H](Sc1nc2ncccn2n1)C(=O)N(C)C
InChIInChI=1S/C10H13N5OS/c1-7(8(16)14(2)3)17-10-12-9-11-5-4-6-15(9)13-10/h4-7H,1-3H3/t7-/m0/s1
InChIKeyZXLBRGBSUCCJOE-ZETCQYMHSA-N
XLogP0.69
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide?
The IUPAC name of (2S)-N,N-dimethyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide (CID 37197978) is (2S)-N,N-dimethyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide is C[C@H](Sc1nc2ncccn2n1)C(=O)N(C)C.
What is the InChIKey of (2S)-N,N-dimethyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide?
The InChIKey is ZXLBRGBSUCCJOE-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-7(8(16)14(2)3)17-10-12-9-11-5-4-6-15(9)13-10/h4-7H,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide?
(2S)-N,N-dimethyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide has a molecular weight of 251.32 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide is sourced from PubChem (CID 37197978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).