5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol

C19H20N6O — CID 162777617

IUPAC5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol
SMILESC=C(c1ncc(-c2ccc(-n3ccnc3)cc2O)nn1)C1CCNCC1
InChIInChI=1S/C19H20N6O/c1-13(14-4-6-20-7-5-14)19-22-11-17(23-24-19)16-3-2-15(10-18(16)26)25-9-8-21-12-25/h2-3,8-12,14,20,26H,1,4-7H2
InChIKeyGROJTTZDBIITBY-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.44
Rot. Bonds4

About 5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol

5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol (PubChem CID 162777617) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol.

Molecular Properties

Compound Name5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol
PubChem CID162777617
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol
SMILESC=C(c1ncc(-c2ccc(-n3ccnc3)cc2O)nn1)C1CCNCC1
InChIInChI=1S/C19H20N6O/c1-13(14-4-6-20-7-5-14)19-22-11-17(23-24-19)16-3-2-15(10-18(16)26)25-9-8-21-12-25/h2-3,8-12,14,20,26H,1,4-7H2
InChIKeyGROJTTZDBIITBY-UHFFFAOYSA-N
XLogP2.44
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol?
The IUPAC name of 5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol (CID 162777617) is 5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol.
What is the SMILES notation for 5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for 5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol is C=C(c1ncc(-c2ccc(-n3ccnc3)cc2O)nn1)C1CCNCC1.
What is the InChIKey of 5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol?
The InChIKey is GROJTTZDBIITBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-13(14-4-6-20-7-5-14)19-22-11-17(23-24-19)16-3-2-15(10-18(16)26)25-9-8-21-12-25/h2-3,8-12,14,20,26H,1,4-7H2.
What are the key properties of 5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol?
5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol has a molecular weight of 348.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 162777617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).