2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H13N7O — CID 137348711

IUPAC2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CCc3nc4ncccn4n3)cc(=O)n2[nH]1
InChIInChI=1S/C14H13N7O/c1-9-7-12-16-10(8-13(22)21(12)18-9)3-4-11-17-14-15-5-2-6-20(14)19-11/h2,5-8,18H,3-4H2,1H3
InChIKeyTZECFTHEJYHBHC-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.55
Rot. Bonds3

About 2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 137348711) has the molecular formula C14H13N7O and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID137348711
Molecular FormulaC14H13N7O
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CCc3nc4ncccn4n3)cc(=O)n2[nH]1
InChIInChI=1S/C14H13N7O/c1-9-7-12-16-10(8-13(22)21(12)18-9)3-4-11-17-14-15-5-2-6-20(14)19-11/h2,5-8,18H,3-4H2,1H3
InChIKeyTZECFTHEJYHBHC-UHFFFAOYSA-N
XLogP0.55
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 137348711) is 2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(CCc3nc4ncccn4n3)cc(=O)n2[nH]1.
What is the InChIKey of 2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is TZECFTHEJYHBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O/c1-9-7-12-16-10(8-13(22)21(12)18-9)3-4-11-17-14-15-5-2-6-20(14)19-11/h2,5-8,18H,3-4H2,1H3.
What are the key properties of 2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 295.31 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 137348711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).