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

C11H12N6O — CID 134439346

IUPAC6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2cn[nH]c2)nc2nc[nH]n2c1=O
InChIInChI=1S/C11H12N6O/c1-6(2)8-9(7-3-13-14-4-7)16-11-12-5-15-17(11)10(8)18/h3-6H,1-2H3,(H,13,14)(H,12,15,16)
InChIKeyYLZGTRUKUBTJFG-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.93
Rot. Bonds2

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

6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 134439346) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID134439346
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2cn[nH]c2)nc2nc[nH]n2c1=O
InChIInChI=1S/C11H12N6O/c1-6(2)8-9(7-3-13-14-4-7)16-11-12-5-15-17(11)10(8)18/h3-6H,1-2H3,(H,13,14)(H,12,15,16)
InChIKeyYLZGTRUKUBTJFG-UHFFFAOYSA-N
XLogP0.93
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 142324796
5-imidazo[1,2-a]pyridin-6-yl-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 134439395
5-(4-morpholin-4-ylphenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 134439517
5-(1-tert-butylpyrazol-4-yl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;5-chloro-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 158526851
5-[4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 134439500
5-[1-(oxan-2-yl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 134439348
5-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 134439446
5-(4-aminophenyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454741
5-(3-cyano-4-methylphenyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454641
5-(1-tert-butylpyrazol-4-yl)-6-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 134439323
4-propan-2-yl-5-(1H-pyrazol-4-yl)-1,2-oxazol-3-amine
CID 136984255
7-oxo-5-phenyl-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118995320

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 134439346) is 6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)c1c(-c2cn[nH]c2)nc2nc[nH]n2c1=O.
What is the InChIKey of 6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YLZGTRUKUBTJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c1-6(2)8-9(7-3-13-14-4-7)16-11-12-5-15-17(11)10(8)18/h3-6H,1-2H3,(H,13,14)(H,12,15,16).
What are the key properties of 6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 244.26 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134439346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).