4-[2-[4-[5-[(1-methylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-3-yl]phenoxy]ethyl]morpholine

C21H24N8O2 — CID 158742604

IUPAC4-[2-[4-[5-[(1-methylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-3-yl]phenoxy]ethyl]morpholine
SMILESCn1cc(Cc2ncc3nnn(-c4ccc(OCCN5CCOCC5)cc4)c3n2)cn1
InChIInChI=1S/C21H24N8O2/c1-27-15-16(13-23-27)12-20-22-14-19-21(24-20)29(26-25-19)17-2-4-18(5-3-17)31-11-8-28-6-9-30-10-7-28/h2-5,13-15H,6-12H2,1H3
InChIKeyIMMGADFWAYSZBR-UHFFFAOYSA-N
MW420.48 g/mol
LogP1.25
Rot. Bonds7

About 4-[2-[4-[5-[(1-methylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-3-yl]phenoxy]ethyl]morpholine

4-[2-[4-[5-[(1-methylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-3-yl]phenoxy]ethyl]morpholine (PubChem CID 158742604) has the molecular formula C21H24N8O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 4-[2-[4-[5-[(1-methylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-3-yl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[5-[(1-methylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-3-yl]phenoxy]ethyl]morpholine
PubChem CID158742604
Molecular FormulaC21H24N8O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name4-[2-[4-[5-[(1-methylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-3-yl]phenoxy]ethyl]morpholine
SMILESCn1cc(Cc2ncc3nnn(-c4ccc(OCCN5CCOCC5)cc4)c3n2)cn1
InChIInChI=1S/C21H24N8O2/c1-27-15-16(13-23-27)12-20-22-14-19-21(24-20)29(26-25-19)17-2-4-18(5-3-17)31-11-8-28-6-9-30-10-7-28/h2-5,13-15H,6-12H2,1H3
InChIKeyIMMGADFWAYSZBR-UHFFFAOYSA-N
XLogP1.25
TPSA96.01 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[2-[4-[5-[(1-methylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-3-yl]phenoxy]ethyl]morpholine with MolForge

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Related Compounds

3-(4-ethoxyphenyl)-5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]triazolo[4,5-d]pyrimidine
CID 152943522
3-(4-methoxyphenyl)-5-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]triazolo[4,5-d]pyrimidine
CID 152833129
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
5-methyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-one
CID 71543198
4-[2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)oxyethyl]morpholine
CID 155727791
[3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl] carbamate
CID 175206818
1-(1-methylpyrazol-4-yl)-3-[[3-(2-morpholin-4-ylethoxy)quinolin-6-yl]methyl]pyridazin-4-one
CID 53307413
4-[2-(4-piperazin-1-ylphenoxy)ethyl]morpholine
CID 43510321
4-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]morpholine
CID 116805370
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[5-[(1-methylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-3-yl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[5-[(1-methylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-3-yl]phenoxy]ethyl]morpholine (CID 158742604) is 4-[2-[4-[5-[(1-methylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-3-yl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[5-[(1-methylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-3-yl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[5-[(1-methylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-3-yl]phenoxy]ethyl]morpholine is Cn1cc(Cc2ncc3nnn(-c4ccc(OCCN5CCOCC5)cc4)c3n2)cn1.
What is the InChIKey of 4-[2-[4-[5-[(1-methylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-3-yl]phenoxy]ethyl]morpholine?
The InChIKey is IMMGADFWAYSZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O2/c1-27-15-16(13-23-27)12-20-22-14-19-21(24-20)29(26-25-19)17-2-4-18(5-3-17)31-11-8-28-6-9-30-10-7-28/h2-5,13-15H,6-12H2,1H3.
What are the key properties of 4-[2-[4-[5-[(1-methylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-3-yl]phenoxy]ethyl]morpholine?
4-[2-[4-[5-[(1-methylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-3-yl]phenoxy]ethyl]morpholine has a molecular weight of 420.48 g/mol, XLogP of 1.25, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[5-[(1-methylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-3-yl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 158742604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).