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

C14H13N7OS — CID 142324798

IUPAC6-propan-2-yl-5-(2-pyrazol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2csc(-n3cccn3)n2)nc2nc[nH]n2c1=O
InChIInChI=1S/C14H13N7OS/c1-8(2)10-11(19-13-15-7-17-21(13)12(10)22)9-6-23-14(18-9)20-5-3-4-16-20/h3-8H,1-2H3,(H,15,17,19)
InChIKeyHAZPKQYMCPJUMJ-UHFFFAOYSA-N
MW327.37 g/mol
LogP1.85
Rot. Bonds3

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

6-propan-2-yl-5-(2-pyrazol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 142324798) has the molecular formula C14H13N7OS and a molecular weight of 327.37 g/mol. Its IUPAC name is 6-propan-2-yl-5-(2-pyrazol-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-pyrazol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID142324798
Molecular FormulaC14H13N7OS
Molecular Weight327.37 g/mol
Exact Mass327.09
IUPAC Name6-propan-2-yl-5-(2-pyrazol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2csc(-n3cccn3)n2)nc2nc[nH]n2c1=O
InChIInChI=1S/C14H13N7OS/c1-8(2)10-11(19-13-15-7-17-21(13)12(10)22)9-6-23-14(18-9)20-5-3-4-16-20/h3-8H,1-2H3,(H,15,17,19)
InChIKeyHAZPKQYMCPJUMJ-UHFFFAOYSA-N
XLogP1.85
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

US10975084, Example 11-140
CID 142324764
5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454674
7-oxo-6-propan-2-yl-5-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454685
7-oxo-6-propan-2-yl-5-[1-[1-(1,3-thiazol-4-yl)ethyl]pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454691
6-ethyl-5-methyl-3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 117926122
N'-[6-oxo-5-propan-2-yl-4-(2-pyrazol-1-yl-1,3-thiazol-4-yl)-1H-pyrimidin-2-yl]methanimidamide
CID 173754320
5-(2-pyrazol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 177753289
(E)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 29110615

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-5-(2-pyrazol-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-pyrazol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 142324798) is 6-propan-2-yl-5-(2-pyrazol-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-pyrazol-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-pyrazol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)c1c(-c2csc(-n3cccn3)n2)nc2nc[nH]n2c1=O.
What is the InChIKey of 6-propan-2-yl-5-(2-pyrazol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HAZPKQYMCPJUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7OS/c1-8(2)10-11(19-13-15-7-17-21(13)12(10)22)9-6-23-14(18-9)20-5-3-4-16-20/h3-8H,1-2H3,(H,15,17,19).
What are the key properties of 6-propan-2-yl-5-(2-pyrazol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-propan-2-yl-5-(2-pyrazol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 327.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-5-(2-pyrazol-1-yl-1,3-thiazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 142324798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).