2-(4-bromophenyl)-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine

C16H16BrN5O — CID 133274491

IUPAC2-(4-bromophenyl)-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCc1cc(N2CCOC(c3ccc(Br)cc3)C2)n2ncnc2n1
InChIInChI=1S/C16H16BrN5O/c1-11-8-15(22-16(20-11)18-10-19-22)21-6-7-23-14(9-21)12-2-4-13(17)5-3-12/h2-5,8,10,14H,6-7,9H2,1H3
InChIKeyVGTXUUAQNDLUHD-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.77
Rot. Bonds2

About 2-(4-bromophenyl)-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine

2-(4-bromophenyl)-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine (PubChem CID 133274491) has the molecular formula C16H16BrN5O and a molecular weight of 374.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
PubChem CID133274491
Molecular FormulaC16H16BrN5O
Molecular Weight374.24 g/mol
Exact Mass373.05
IUPAC Name2-(4-bromophenyl)-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCc1cc(N2CCOC(c3ccc(Br)cc3)C2)n2ncnc2n1
InChIInChI=1S/C16H16BrN5O/c1-11-8-15(22-16(20-11)18-10-19-22)21-6-7-23-14(9-21)12-2-4-13(17)5-3-12/h2-5,8,10,14H,6-7,9H2,1H3
InChIKeyVGTXUUAQNDLUHD-UHFFFAOYSA-N
XLogP2.77
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromophenyl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 47983335
1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-2-yl]ethanamine
CID 115315727
4-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95584085
4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449954
7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 121184229
2-(4-bromophenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 133298883
N-cyclopropyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine-2-carboxamide
CID 155799885
5-methyl-7-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136526216
(2S)-2-(3-chlorophenyl)-4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 99821872
7-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 97221913
7-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 114800712
4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449868

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The IUPAC name of 2-(4-bromophenyl)-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine (CID 133274491) is 2-(4-bromophenyl)-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine.
What is the SMILES notation for 2-(4-bromophenyl)-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The canonical SMILES for 2-(4-bromophenyl)-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine is Cc1cc(N2CCOC(c3ccc(Br)cc3)C2)n2ncnc2n1.
What is the InChIKey of 2-(4-bromophenyl)-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The InChIKey is VGTXUUAQNDLUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5O/c1-11-8-15(22-16(20-11)18-10-19-22)21-6-7-23-14(9-21)12-2-4-13(17)5-3-12/h2-5,8,10,14H,6-7,9H2,1H3.
What are the key properties of 2-(4-bromophenyl)-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
2-(4-bromophenyl)-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine has a molecular weight of 374.24 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 133274491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).