[4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,6-dimethylmorpholin-2-yl]methanol

C12H16ClN5O2 — CID 102919218

IUPAC[4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(c2cc(Cl)nc3ncnn23)CC(CO)O1
InChIInChI=1S/C12H16ClN5O2/c1-12(2)6-17(4-8(5-19)20-12)10-3-9(13)16-11-14-7-15-18(10)11/h3,7-8,19H,4-6H2,1-2H3
InChIKeyFHAQXLXMROMSAJ-UHFFFAOYSA-N
MW297.75 g/mol
LogP0.75
Rot. Bonds2

About [4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,6-dimethylmorpholin-2-yl]methanol

[4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 102919218) has the molecular formula C12H16ClN5O2 and a molecular weight of 297.75 g/mol. Its IUPAC name is [4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID102919218
Molecular FormulaC12H16ClN5O2
Molecular Weight297.75 g/mol
Exact Mass297.10
IUPAC Name[4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(c2cc(Cl)nc3ncnn23)CC(CO)O1
InChIInChI=1S/C12H16ClN5O2/c1-12(2)6-17(4-8(5-19)20-12)10-3-9(13)16-11-14-7-15-18(10)11/h3,7-8,19H,4-6H2,1-2H3
InChIKeyFHAQXLXMROMSAJ-UHFFFAOYSA-N
XLogP0.75
TPSA75.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,6-dimethylmorpholin-2-yl]methanol with MolForge

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Related Compounds

[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanol
CID 102919086
[4-(4-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114070637
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpiperidin-3-ol
CID 102919198
5-chloro-7-(4-ethyl-3-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918842
[4-(3-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776247
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpyrrolidine-3-carboxamide
CID 114082399
7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918340
[6,6-dimethyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)morpholin-2-yl]methanamine
CID 114782362
7-(3-tert-butylpyrrolidin-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919125
5-chloro-7-(4-methylazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918844
5-chloro-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918816
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779306

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,6-dimethylmorpholin-2-yl]methanol (CID 102919218) is [4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,6-dimethylmorpholin-2-yl]methanol is CC1(C)CN(c2cc(Cl)nc3ncnn23)CC(CO)O1.
What is the InChIKey of [4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is FHAQXLXMROMSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O2/c1-12(2)6-17(4-8(5-19)20-12)10-3-9(13)16-11-14-7-15-18(10)11/h3,7-8,19H,4-6H2,1-2H3.
What are the key properties of [4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,6-dimethylmorpholin-2-yl]methanol?
[4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 297.75 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 102919218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).