6-propan-2-yl-5-(2-pyrrol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C15H14N6OS — CID 142324764

IUPAC6-propan-2-yl-5-(2-pyrrol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2csc(-n3cccc3)n2)nc2nc[nH]n2c1=O
InChIInChI=1S/C15H14N6OS/c1-9(2)11-12(19-14-16-8-17-21(14)13(11)22)10-7-23-15(18-10)20-5-3-4-6-20/h3-9H,1-2H3,(H,16,17,19)
InChIKeyAZDFXCYBNHOCID-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.46
Rot. Bonds3

About 6-propan-2-yl-5-(2-pyrrol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

6-propan-2-yl-5-(2-pyrrol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 142324764) has the molecular formula C15H14N6OS and a molecular weight of 326.39 g/mol. Its IUPAC name is 6-propan-2-yl-5-(2-pyrrol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-propan-2-yl-5-(2-pyrrol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID142324764
Molecular FormulaC15H14N6OS
Molecular Weight326.39 g/mol
Exact Mass326.09
IUPAC Name6-propan-2-yl-5-(2-pyrrol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2csc(-n3cccc3)n2)nc2nc[nH]n2c1=O
InChIInChI=1S/C15H14N6OS/c1-9(2)11-12(19-14-16-8-17-21(14)13(11)22)10-7-23-15(18-10)20-5-3-4-6-20/h3-9H,1-2H3,(H,16,17,19)
InChIKeyAZDFXCYBNHOCID-UHFFFAOYSA-N
XLogP2.46
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-5-(2-pyrrol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-propan-2-yl-5-(2-pyrrol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 142324764) is 6-propan-2-yl-5-(2-pyrrol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-propan-2-yl-5-(2-pyrrol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-propan-2-yl-5-(2-pyrrol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)c1c(-c2csc(-n3cccc3)n2)nc2nc[nH]n2c1=O.
What is the InChIKey of 6-propan-2-yl-5-(2-pyrrol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AZDFXCYBNHOCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6OS/c1-9(2)11-12(19-14-16-8-17-21(14)13(11)22)10-7-23-15(18-10)20-5-3-4-6-20/h3-9H,1-2H3,(H,16,17,19).
What are the key properties of 6-propan-2-yl-5-(2-pyrrol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-propan-2-yl-5-(2-pyrrol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 326.39 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-5-(2-pyrrol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 142324764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).