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

C11H13N5OS — CID 42928932

IUPACN-cyclopropyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
SMILESCC(Sc1nc2ncccn2n1)C(=O)NC1CC1
InChIInChI=1S/C11H13N5OS/c1-7(9(17)13-8-3-4-8)18-11-14-10-12-5-2-6-16(10)15-11/h2,5-8H,3-4H2,1H3,(H,13,17)
InChIKeyGIWUHDZTLIPJJD-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.88
Rot. Bonds4

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

N-cyclopropyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide (PubChem CID 42928932) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is N-cyclopropyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
PubChem CID42928932
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC NameN-cyclopropyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
SMILESCC(Sc1nc2ncccn2n1)C(=O)NC1CC1
InChIInChI=1S/C11H13N5OS/c1-7(9(17)13-8-3-4-8)18-11-14-10-12-5-2-6-16(10)15-11/h2,5-8H,3-4H2,1H3,(H,13,17)
InChIKeyGIWUHDZTLIPJJD-UHFFFAOYSA-N
XLogP0.88
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide?
The IUPAC name of N-cyclopropyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide (CID 42928932) is N-cyclopropyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide.
What is the SMILES notation for N-cyclopropyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide?
The canonical SMILES for N-cyclopropyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide is CC(Sc1nc2ncccn2n1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide?
The InChIKey is GIWUHDZTLIPJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-7(9(17)13-8-3-4-8)18-11-14-10-12-5-2-6-16(10)15-11/h2,5-8H,3-4H2,1H3,(H,13,17).
What are the key properties of N-cyclopropyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide?
N-cyclopropyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide has a molecular weight of 263.33 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide is sourced from PubChem (CID 42928932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).