4-[2-(1,2,4-triazin-3-yl)phenoxy]hexan-2-ol

C15H19N3O2 — CID 150196072

IUPAC4-[2-(1,2,4-triazin-3-yl)phenoxy]hexan-2-ol
SMILESCCC(CC(C)O)Oc1ccccc1-c1nccnn1
InChIInChI=1S/C15H19N3O2/c1-3-12(10-11(2)19)20-14-7-5-4-6-13(14)15-16-8-9-17-18-15/h4-9,11-12,19H,3,10H2,1-2H3
InChIKeyFOMDNTAXIQXNPY-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.47
Rot. Bonds6

About 4-[2-(1,2,4-triazin-3-yl)phenoxy]hexan-2-ol

4-[2-(1,2,4-triazin-3-yl)phenoxy]hexan-2-ol (PubChem CID 150196072) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[2-(1,2,4-triazin-3-yl)phenoxy]hexan-2-ol.

Molecular Properties

Compound Name4-[2-(1,2,4-triazin-3-yl)phenoxy]hexan-2-ol
PubChem CID150196072
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[2-(1,2,4-triazin-3-yl)phenoxy]hexan-2-ol
SMILESCCC(CC(C)O)Oc1ccccc1-c1nccnn1
InChIInChI=1S/C15H19N3O2/c1-3-12(10-11(2)19)20-14-7-5-4-6-13(14)15-16-8-9-17-18-15/h4-9,11-12,19H,3,10H2,1-2H3
InChIKeyFOMDNTAXIQXNPY-UHFFFAOYSA-N
XLogP2.47
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-ethoxyphenyl)-1,2,4-triazine
CID 139592958
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CID 62449487
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CID 175175444
CID 175175444
3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]hexan-1-ol
CID 139735231
2-[2-[(3R)-5-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]heptan-3-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol
CID 58649262
2-[2-(2-pyrimidin-2-ylphenoxy)phenyl]pyrimidine
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CID 43367670
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CID 141117216

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,2,4-triazin-3-yl)phenoxy]hexan-2-ol?
The IUPAC name of 4-[2-(1,2,4-triazin-3-yl)phenoxy]hexan-2-ol (CID 150196072) is 4-[2-(1,2,4-triazin-3-yl)phenoxy]hexan-2-ol.
What is the SMILES notation for 4-[2-(1,2,4-triazin-3-yl)phenoxy]hexan-2-ol?
The canonical SMILES for 4-[2-(1,2,4-triazin-3-yl)phenoxy]hexan-2-ol is CCC(CC(C)O)Oc1ccccc1-c1nccnn1.
What is the InChIKey of 4-[2-(1,2,4-triazin-3-yl)phenoxy]hexan-2-ol?
The InChIKey is FOMDNTAXIQXNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-12(10-11(2)19)20-14-7-5-4-6-13(14)15-16-8-9-17-18-15/h4-9,11-12,19H,3,10H2,1-2H3.
What are the key properties of 4-[2-(1,2,4-triazin-3-yl)phenoxy]hexan-2-ol?
4-[2-(1,2,4-triazin-3-yl)phenoxy]hexan-2-ol has a molecular weight of 273.34 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,2,4-triazin-3-yl)phenoxy]hexan-2-ol is sourced from PubChem (CID 150196072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).