4-[2-(3-methoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-yl]morpholine

C16H17N5O2 — CID 71273468

IUPAC4-[2-(3-methoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-yl]morpholine
SMILESCOc1cccc(-c2nc(N3CCOCC3)c3cncn3n2)c1
InChIInChI=1S/C16H17N5O2/c1-22-13-4-2-3-12(9-13)15-18-16(20-5-7-23-8-6-20)14-10-17-11-21(14)19-15/h2-4,9-11H,5-8H2,1H3
InChIKeyDXMLKAYLRFSBQI-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.64
Rot. Bonds3

About 4-[2-(3-methoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-yl]morpholine

4-[2-(3-methoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-yl]morpholine (PubChem CID 71273468) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 4-[2-(3-methoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(3-methoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-yl]morpholine
PubChem CID71273468
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name4-[2-(3-methoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-yl]morpholine
SMILESCOc1cccc(-c2nc(N3CCOCC3)c3cncn3n2)c1
InChIInChI=1S/C16H17N5O2/c1-22-13-4-2-3-12(9-13)15-18-16(20-5-7-23-8-6-20)14-10-17-11-21(14)19-15/h2-4,9-11H,5-8H2,1H3
InChIKeyDXMLKAYLRFSBQI-UHFFFAOYSA-N
XLogP1.64
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 154618052
ethyl 6-(3-methoxyphenyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxylate
CID 71273464
4-(3-methoxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57334123
4-[4-[5-(3-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]phenyl]morpholine
CID 141347004
4-[6-(3-methoxyphenyl)-2,3-dimethylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 135292557
8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117137616
3-(8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl)phenol
CID 118213801
[2-methoxy-5-[2-(3-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 16737936
4-(5-methoxy-2-phenylpyrimidin-4-yl)morpholine
CID 3329093
3-(8-morpholin-4-ylimidazo[1,5-a]pyrazin-6-yl)phenol
CID 53353950
1-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol
CID 53499440
2-(3-methoxyphenyl)-4,5-dimethyl-6-piperazin-1-ylpyrimidine
CID 82169369

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-yl]morpholine?
The IUPAC name of 4-[2-(3-methoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-yl]morpholine (CID 71273468) is 4-[2-(3-methoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(3-methoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-yl]morpholine?
The canonical SMILES for 4-[2-(3-methoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-yl]morpholine is COc1cccc(-c2nc(N3CCOCC3)c3cncn3n2)c1.
What is the InChIKey of 4-[2-(3-methoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-yl]morpholine?
The InChIKey is DXMLKAYLRFSBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-22-13-4-2-3-12(9-13)15-18-16(20-5-7-23-8-6-20)14-10-17-11-21(14)19-15/h2-4,9-11H,5-8H2,1H3.
What are the key properties of 4-[2-(3-methoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-yl]morpholine?
4-[2-(3-methoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-yl]morpholine has a molecular weight of 311.35 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-yl]morpholine is sourced from PubChem (CID 71273468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).