N,N-di(propan-2-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide

C13H19N5OS — CID 47134891

IUPACN,N-di(propan-2-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
SMILESCC(C)N(C(=O)CSc1nc2ncccn2n1)C(C)C
InChIInChI=1S/C13H19N5OS/c1-9(2)18(10(3)4)11(19)8-20-13-15-12-14-6-5-7-17(12)16-13/h5-7,9-10H,8H2,1-4H3
InChIKeyKFTOHXVDUWHPEK-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.86
Rot. Bonds5

About N,N-di(propan-2-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide

N,N-di(propan-2-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide (PubChem CID 47134891) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
PubChem CID47134891
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC NameN,N-di(propan-2-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
SMILESCC(C)N(C(=O)CSc1nc2ncccn2n1)C(C)C
InChIInChI=1S/C13H19N5OS/c1-9(2)18(10(3)4)11(19)8-20-13-15-12-14-6-5-7-17(12)16-13/h5-7,9-10H,8H2,1-4H3
InChIKeyKFTOHXVDUWHPEK-UHFFFAOYSA-N
XLogP1.86
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
The IUPAC name of N,N-di(propan-2-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide (CID 47134891) is N,N-di(propan-2-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N,N-di(propan-2-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
The canonical SMILES for N,N-di(propan-2-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide is CC(C)N(C(=O)CSc1nc2ncccn2n1)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
The InChIKey is KFTOHXVDUWHPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-9(2)18(10(3)4)11(19)8-20-13-15-12-14-6-5-7-17(12)16-13/h5-7,9-10H,8H2,1-4H3.
What are the key properties of N,N-di(propan-2-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
N,N-di(propan-2-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide has a molecular weight of 293.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 47134891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).