3-(7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-yl)phenol

C14H14N6O2 — CID 173099726

IUPAC3-(7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-yl)phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)c3n[nH]nc3n2)c1
InChIInChI=1S/C14H14N6O2/c21-10-3-1-2-9(8-10)12-15-13-11(17-19-18-13)14(16-12)20-4-6-22-7-5-20/h1-3,8,21H,4-7H2,(H,15,16,17,18,19)
InChIKeySDSDZANWFMDXHI-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.96
Rot. Bonds2

About 3-(7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-yl)phenol

3-(7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-yl)phenol (PubChem CID 173099726) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 3-(7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-yl)phenol.

Molecular Properties

Compound Name3-(7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-yl)phenol
PubChem CID173099726
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name3-(7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-yl)phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)c3n[nH]nc3n2)c1
InChIInChI=1S/C14H14N6O2/c21-10-3-1-2-9(8-10)12-15-13-11(17-19-18-13)14(16-12)20-4-6-22-7-5-20/h1-3,8,21H,4-7H2,(H,15,16,17,18,19)
InChIKeySDSDZANWFMDXHI-UHFFFAOYSA-N
XLogP0.96
TPSA100.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[7-(aminomethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 131994380
3-[7-[(dimethylamino)methyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol
CID 42632987
3-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)phenol
CID 89120666
3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenol
CID 46225280
3-(6-morpholin-4-yl-8-thia-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-4-yl)phenol
CID 56838481
3-[7-[(cyclohexylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-[(cyclopropylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 159591396
3-[7-(2-hydroxy-1-hydroxysulfanylethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 131994336
3-[7-(methoxyiminomethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 123269409
3-(8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl)phenol
CID 118213801
3-[7-(1-cyclohexylpiperidin-4-yl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol
CID 42633367
3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;hydrochloride
CID 67054453
3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol
CID 123635804

Frequently Asked Questions

What is the IUPAC name of 3-(7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-yl)phenol?
The IUPAC name of 3-(7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-yl)phenol (CID 173099726) is 3-(7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-yl)phenol.
What is the SMILES notation for 3-(7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-yl)phenol?
The canonical SMILES for 3-(7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-yl)phenol is Oc1cccc(-c2nc(N3CCOCC3)c3n[nH]nc3n2)c1.
What is the InChIKey of 3-(7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-yl)phenol?
The InChIKey is SDSDZANWFMDXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c21-10-3-1-2-9(8-10)12-15-13-11(17-19-18-13)14(16-12)20-4-6-22-7-5-20/h1-3,8,21H,4-7H2,(H,15,16,17,18,19).
What are the key properties of 3-(7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-yl)phenol?
3-(7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-yl)phenol has a molecular weight of 298.31 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-yl)phenol is sourced from PubChem (CID 173099726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).