7-(oxan-4-yl)-2-[4-[1-(1,3-oxazol-2-yl)ethyl]pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one

C19H26N6O3 — CID 136599015

IUPAC7-(oxan-4-yl)-2-[4-[1-(1,3-oxazol-2-yl)ethyl]pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
SMILESCC(c1ncco1)C1CNCC1C1=NC2=CN(C3CCOCC3)CN2C(=O)N1
InChIInChI=1S/C19H26N6O3/c1-12(18-21-4-7-28-18)14-8-20-9-15(14)17-22-16-10-24(11-25(16)19(26)23-17)13-2-5-27-6-3-13/h4,7,10,12-15,20H,2-3,5-6,8-9,11H2,1H3,(H,22,23,26)
InChIKeyGWIFTAZSUZDKFB-UHFFFAOYSA-N
MW386.46 g/mol
LogP1.29
Rot. Bonds4

About 7-(oxan-4-yl)-2-[4-[1-(1,3-oxazol-2-yl)ethyl]pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one

7-(oxan-4-yl)-2-[4-[1-(1,3-oxazol-2-yl)ethyl]pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one (PubChem CID 136599015) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is 7-(oxan-4-yl)-2-[4-[1-(1,3-oxazol-2-yl)ethyl]pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name7-(oxan-4-yl)-2-[4-[1-(1,3-oxazol-2-yl)ethyl]pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
PubChem CID136599015
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC Name7-(oxan-4-yl)-2-[4-[1-(1,3-oxazol-2-yl)ethyl]pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
SMILESCC(c1ncco1)C1CNCC1C1=NC2=CN(C3CCOCC3)CN2C(=O)N1
InChIInChI=1S/C19H26N6O3/c1-12(18-21-4-7-28-18)14-8-20-9-15(14)17-22-16-10-24(11-25(16)19(26)23-17)13-2-5-27-6-3-13/h4,7,10,12-15,20H,2-3,5-6,8-9,11H2,1H3,(H,22,23,26)
InChIKeyGWIFTAZSUZDKFB-UHFFFAOYSA-N
XLogP1.29
TPSA95.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(oxan-4-yl)-2-[4-[1-(1,3-oxazol-2-yl)ethyl]pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one?
The IUPAC name of 7-(oxan-4-yl)-2-[4-[1-(1,3-oxazol-2-yl)ethyl]pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one (CID 136599015) is 7-(oxan-4-yl)-2-[4-[1-(1,3-oxazol-2-yl)ethyl]pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one.
What is the SMILES notation for 7-(oxan-4-yl)-2-[4-[1-(1,3-oxazol-2-yl)ethyl]pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one?
The canonical SMILES for 7-(oxan-4-yl)-2-[4-[1-(1,3-oxazol-2-yl)ethyl]pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one is CC(c1ncco1)C1CNCC1C1=NC2=CN(C3CCOCC3)CN2C(=O)N1.
What is the InChIKey of 7-(oxan-4-yl)-2-[4-[1-(1,3-oxazol-2-yl)ethyl]pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one?
The InChIKey is GWIFTAZSUZDKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-12(18-21-4-7-28-18)14-8-20-9-15(14)17-22-16-10-24(11-25(16)19(26)23-17)13-2-5-27-6-3-13/h4,7,10,12-15,20H,2-3,5-6,8-9,11H2,1H3,(H,22,23,26).
What are the key properties of 7-(oxan-4-yl)-2-[4-[1-(1,3-oxazol-2-yl)ethyl]pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one?
7-(oxan-4-yl)-2-[4-[1-(1,3-oxazol-2-yl)ethyl]pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one has a molecular weight of 386.46 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxan-4-yl)-2-[4-[1-(1,3-oxazol-2-yl)ethyl]pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one is sourced from PubChem (CID 136599015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).