2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-phenyl-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one

C23H25N5O — CID 136610900

IUPAC2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-phenyl-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
SMILESCC1CN(Cc2ccccc2)CC1C1=NC2=CN(c3ccccc3)CN2C(=O)N1
InChIInChI=1S/C23H25N5O/c1-17-12-26(13-18-8-4-2-5-9-18)14-20(17)22-24-21-15-27(16-28(21)23(29)25-22)19-10-6-3-7-11-19/h2-11,15,17,20H,12-14,16H2,1H3,(H,24,25,29)
InChIKeySHWUBDCSIQQRDI-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.45
Rot. Bonds4

About 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-phenyl-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one

2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-phenyl-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one (PubChem CID 136610900) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-phenyl-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-phenyl-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
PubChem CID136610900
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-phenyl-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
SMILESCC1CN(Cc2ccccc2)CC1C1=NC2=CN(c3ccccc3)CN2C(=O)N1
InChIInChI=1S/C23H25N5O/c1-17-12-26(13-18-8-4-2-5-9-18)14-20(17)22-24-21-15-27(16-28(21)23(29)25-22)19-10-6-3-7-11-19/h2-11,15,17,20H,12-14,16H2,1H3,(H,24,25,29)
InChIKeySHWUBDCSIQQRDI-UHFFFAOYSA-N
XLogP3.45
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(2-methylphenyl)-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
CID 136610922
7-(4-methylphenyl)-2-[4-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
CID 136952684
2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7-[4-(trifluoromethyl)phenyl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
CID 136598951
7-(4-fluorophenyl)-2-[(3R,4R)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
CID 137003073
2-[1-(1H-benzimidazol-2-ylmethyl)-4-methylpyrrolidin-3-yl]-7-(4-methylphenyl)-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
CID 136952675
1-benzyl-3-methyl-4-phenylpyrrolidine
CID 3522572
(4S)-1-benzyl-3-methyl-4-phenylpyrrolidine
CID 71104653
7-phenyl-2-[4-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
CID 136598954
2-[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-yl]-7-(oxan-4-yl)-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
CID 136598877
2-[1-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylpyrrolidin-3-yl]-7-(oxan-4-yl)-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
CID 136598869
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
2-[4-methyl-1-(2-pyrimidin-2-ylethyl)pyrrolidin-3-yl]-7-(oxan-4-yl)-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
CID 136952671

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-phenyl-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one?
The IUPAC name of 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-phenyl-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one (CID 136610900) is 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-phenyl-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-phenyl-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-phenyl-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one is CC1CN(Cc2ccccc2)CC1C1=NC2=CN(c3ccccc3)CN2C(=O)N1.
What is the InChIKey of 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-phenyl-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one?
The InChIKey is SHWUBDCSIQQRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17-12-26(13-18-8-4-2-5-9-18)14-20(17)22-24-21-15-27(16-28(21)23(29)25-22)19-10-6-3-7-11-19/h2-11,15,17,20H,12-14,16H2,1H3,(H,24,25,29).
What are the key properties of 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-phenyl-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one?
2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-phenyl-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one has a molecular weight of 387.49 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-phenyl-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one is sourced from PubChem (CID 136610900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).