5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C15H15N5O — CID 42956025

IUPAC5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC1Cc2ccccc2N1Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C15H15N5O/c1-10-6-11-4-2-3-5-13(11)19(10)8-12-7-14(21)20-15(18-12)16-9-17-20/h2-5,7,9-10H,6,8H2,1H3,(H,16,17,18)
InChIKeyARGVLFFQMKSKOR-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.37
Rot. Bonds2

About 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 42956025) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID42956025
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC1Cc2ccccc2N1Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C15H15N5O/c1-10-6-11-4-2-3-5-13(11)19(10)8-12-7-14(21)20-15(18-12)16-9-17-20/h2-5,7,9-10H,6,8H2,1H3,(H,16,17,18)
InChIKeyARGVLFFQMKSKOR-UHFFFAOYSA-N
XLogP1.37
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 106672454
2-amino-5-[(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 167792894
[6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-2-pyridinyl]methanamine
CID 106905554
5-[(3-amino-5-methylpiperidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 79993847
6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]pyridin-3-ol
CID 82974751
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylpyridin-4-amine
CID 79244943
[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 18071187
1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
CID 22199928
2-(4-fluorophenyl)-4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,3-oxazole
CID 31673406
5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62022341
2-(4-fluorophenyl)-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3-oxazole
CID 42943788
[5-fluoro-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 63288980

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 42956025) is 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC1Cc2ccccc2N1Cc1cc(=O)n2[nH]cnc2n1.
What is the InChIKey of 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ARGVLFFQMKSKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10-6-11-4-2-3-5-13(11)19(10)8-12-7-14(21)20-15(18-12)16-9-17-20/h2-5,7,9-10H,6,8H2,1H3,(H,16,17,18).
What are the key properties of 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 281.32 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 42956025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).