3-[1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-2,5-dihydro-1H-1,2,4-triazin-6-one

C16H20N4O2 — CID 23371601

IUPAC3-[1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-2,5-dihydro-1H-1,2,4-triazin-6-one
SMILESO=C1CN=C(C2=CCN(CC(O)c3ccccc3)CC2)NN1
InChIInChI=1S/C16H20N4O2/c21-14(12-4-2-1-3-5-12)11-20-8-6-13(7-9-20)16-17-10-15(22)18-19-16/h1-6,14,21H,7-11H2,(H,17,19)(H,18,22)
InChIKeyPZZGEEUWGGOIDT-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.38
Rot. Bonds4

About 3-[1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-2,5-dihydro-1H-1,2,4-triazin-6-one

3-[1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-2,5-dihydro-1H-1,2,4-triazin-6-one (PubChem CID 23371601) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-2,5-dihydro-1H-1,2,4-triazin-6-one.

Molecular Properties

Compound Name3-[1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-2,5-dihydro-1H-1,2,4-triazin-6-one
PubChem CID23371601
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-[1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-2,5-dihydro-1H-1,2,4-triazin-6-one
SMILESO=C1CN=C(C2=CCN(CC(O)c3ccccc3)CC2)NN1
InChIInChI=1S/C16H20N4O2/c21-14(12-4-2-1-3-5-12)11-20-8-6-13(7-9-20)16-17-10-15(22)18-19-16/h1-6,14,21H,7-11H2,(H,17,19)(H,18,22)
InChIKeyPZZGEEUWGGOIDT-UHFFFAOYSA-N
XLogP0.38
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-2,5-dihydro-1H-1,2,4-triazin-6-one with MolForge

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Related Compounds

1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 134158894
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol
CID 16677240
2-[1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-4H-1,3,4-thiadiazin-5-one
CID 23371608
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 55989486
(1S)-2-[4-[(E)-2-(4-bromophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol
CID 6549292
1-[4-[chloro(phenyl)methyl]phenyl]-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
CID 67893663
1-(2-methoxy-2-phenylethyl)-4-phenyl-3,6-dihydro-2H-pyridine
CID 110177591
(1S)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol
CID 40501801
1-[(2S)-2-hydroxy-2-phenylethyl]pyridin-2-one
CID 36689704
7-fluoro-1-[(2S)-2-hydroxy-2-phenylethyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 122139609
2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-methyl-4H-1,3,4-thiadiazin-5-one
CID 23371575
3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[4-(4-fluorophenyl)phenyl]propan-1-ol
CID 3072614

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-2,5-dihydro-1H-1,2,4-triazin-6-one?
The IUPAC name of 3-[1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-2,5-dihydro-1H-1,2,4-triazin-6-one (CID 23371601) is 3-[1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-2,5-dihydro-1H-1,2,4-triazin-6-one.
What is the SMILES notation for 3-[1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-2,5-dihydro-1H-1,2,4-triazin-6-one?
The canonical SMILES for 3-[1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-2,5-dihydro-1H-1,2,4-triazin-6-one is O=C1CN=C(C2=CCN(CC(O)c3ccccc3)CC2)NN1.
What is the InChIKey of 3-[1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-2,5-dihydro-1H-1,2,4-triazin-6-one?
The InChIKey is PZZGEEUWGGOIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-14(12-4-2-1-3-5-12)11-20-8-6-13(7-9-20)16-17-10-15(22)18-19-16/h1-6,14,21H,7-11H2,(H,17,19)(H,18,22).
What are the key properties of 3-[1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-2,5-dihydro-1H-1,2,4-triazin-6-one?
3-[1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-2,5-dihydro-1H-1,2,4-triazin-6-one has a molecular weight of 300.36 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-2,5-dihydro-1H-1,2,4-triazin-6-one is sourced from PubChem (CID 23371601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).