(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone

C13H17N5OS — CID 72904568

IUPAC(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone
SMILESCC(C)c1cc(C(=O)N2CCSCC2)nc2ncnn12
InChIInChI=1S/C13H17N5OS/c1-9(2)11-7-10(16-13-14-8-15-18(11)13)12(19)17-3-5-20-6-4-17/h7-9H,3-6H2,1-2H3
InChIKeyMEOPLRNUCXGZNP-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.44
Rot. Bonds2

About (7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone

(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone (PubChem CID 72904568) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is (7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone
PubChem CID72904568
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone
SMILESCC(C)c1cc(C(=O)N2CCSCC2)nc2ncnn12
InChIInChI=1S/C13H17N5OS/c1-9(2)11-7-10(16-13-14-8-15-18(11)13)12(19)17-3-5-20-6-4-17/h7-9H,3-6H2,1-2H3
InChIKeyMEOPLRNUCXGZNP-UHFFFAOYSA-N
XLogP1.44
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone (CID 72904568) is (7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone is CC(C)c1cc(C(=O)N2CCSCC2)nc2ncnn12.
What is the InChIKey of (7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone?
The InChIKey is MEOPLRNUCXGZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-9(2)11-7-10(16-13-14-8-15-18(11)13)12(19)17-3-5-20-6-4-17/h7-9H,3-6H2,1-2H3.
What are the key properties of (7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone?
(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone has a molecular weight of 291.38 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 72904568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).