6-propan-2-yl-5-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C12H12N4OS — CID 134439332

IUPAC6-propan-2-yl-5-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2cccs2)nc2nc[nH]n2c1=O
InChIInChI=1S/C12H12N4OS/c1-7(2)9-10(8-4-3-5-18-8)15-12-13-6-14-16(12)11(9)17/h3-7H,1-2H3,(H,13,14,15)
InChIKeyAMMFVVFUYUORIV-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.27
Rot. Bonds2

About 6-propan-2-yl-5-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

6-propan-2-yl-5-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 134439332) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 6-propan-2-yl-5-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-propan-2-yl-5-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID134439332
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name6-propan-2-yl-5-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2cccs2)nc2nc[nH]n2c1=O
InChIInChI=1S/C12H12N4OS/c1-7(2)9-10(8-4-3-5-18-8)15-12-13-6-14-16(12)11(9)17/h3-7H,1-2H3,(H,13,14,15)
InChIKeyAMMFVVFUYUORIV-UHFFFAOYSA-N
XLogP2.27
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-5-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-propan-2-yl-5-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 134439332) is 6-propan-2-yl-5-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-propan-2-yl-5-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-propan-2-yl-5-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)c1c(-c2cccs2)nc2nc[nH]n2c1=O.
What is the InChIKey of 6-propan-2-yl-5-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AMMFVVFUYUORIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-7(2)9-10(8-4-3-5-18-8)15-12-13-6-14-16(12)11(9)17/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of 6-propan-2-yl-5-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-propan-2-yl-5-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 260.32 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-5-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134439332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).