5-(1-hydroxy-2-phenylethyl)-6-propan-2-yl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C23H26N6O2 — CID 69481629

IUPAC5-(1-hydroxy-2-phenylethyl)-6-propan-2-yl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(C)c1nc(NCCc2cccnc2)c2n[nH]c(=O)n2c1C(O)Cc1ccccc1
InChIInChI=1S/C23H26N6O2/c1-15(2)19-20(18(30)13-16-7-4-3-5-8-16)29-22(27-28-23(29)31)21(26-19)25-12-10-17-9-6-11-24-14-17/h3-9,11,14-15,18,30H,10,12-13H2,1-2H3,(H,25,26)(H,28,31)
InChIKeyNBFAGZZTJREHGK-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.87
Rot. Bonds8

About 5-(1-hydroxy-2-phenylethyl)-6-propan-2-yl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

5-(1-hydroxy-2-phenylethyl)-6-propan-2-yl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 69481629) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 5-(1-hydroxy-2-phenylethyl)-6-propan-2-yl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name5-(1-hydroxy-2-phenylethyl)-6-propan-2-yl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID69481629
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name5-(1-hydroxy-2-phenylethyl)-6-propan-2-yl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(C)c1nc(NCCc2cccnc2)c2n[nH]c(=O)n2c1C(O)Cc1ccccc1
InChIInChI=1S/C23H26N6O2/c1-15(2)19-20(18(30)13-16-7-4-3-5-8-16)29-22(27-28-23(29)31)21(26-19)25-12-10-17-9-6-11-24-14-17/h3-9,11,14-15,18,30H,10,12-13H2,1-2H3,(H,25,26)(H,28,31)
InChIKeyNBFAGZZTJREHGK-UHFFFAOYSA-N
XLogP2.87
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-(1-hydroxy-2-phenylethyl)-6-propan-2-yl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxy-2-phenylethyl)-6-propan-2-yl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 5-(1-hydroxy-2-phenylethyl)-6-propan-2-yl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 69481629) is 5-(1-hydroxy-2-phenylethyl)-6-propan-2-yl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 5-(1-hydroxy-2-phenylethyl)-6-propan-2-yl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 5-(1-hydroxy-2-phenylethyl)-6-propan-2-yl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CC(C)c1nc(NCCc2cccnc2)c2n[nH]c(=O)n2c1C(O)Cc1ccccc1.
What is the InChIKey of 5-(1-hydroxy-2-phenylethyl)-6-propan-2-yl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is NBFAGZZTJREHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-15(2)19-20(18(30)13-16-7-4-3-5-8-16)29-22(27-28-23(29)31)21(26-19)25-12-10-17-9-6-11-24-14-17/h3-9,11,14-15,18,30H,10,12-13H2,1-2H3,(H,25,26)(H,28,31).
What are the key properties of 5-(1-hydroxy-2-phenylethyl)-6-propan-2-yl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
5-(1-hydroxy-2-phenylethyl)-6-propan-2-yl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 418.50 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxy-2-phenylethyl)-6-propan-2-yl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 69481629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).