7-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C19H24N6O2 — CID 18191273

IUPAC7-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(OCCN2CCN(c3cc(C)nc4ncnn34)CC2)cc1
InChIInChI=1S/C19H24N6O2/c1-15-13-18(25-19(22-15)20-14-21-25)24-9-7-23(8-10-24)11-12-27-17-5-3-16(26-2)4-6-17/h3-6,13-14H,7-12H2,1-2H3
InChIKeyZXKMGFGXHHJJLM-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.64
Rot. Bonds6

About 7-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 18191273) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 7-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID18191273
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name7-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(OCCN2CCN(c3cc(C)nc4ncnn34)CC2)cc1
InChIInChI=1S/C19H24N6O2/c1-15-13-18(25-19(22-15)20-14-21-25)24-9-7-23(8-10-24)11-12-27-17-5-3-16(26-2)4-6-17/h3-6,13-14H,7-12H2,1-2H3
InChIKeyZXKMGFGXHHJJLM-UHFFFAOYSA-N
XLogP1.64
TPSA68.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 18133135
3-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 43517160
7-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 155976320
(3-methoxyphenyl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 38014441
2-(4-methoxyphenyl)sulfanyl-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one
CID 55853589
7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 121184229
7-(4-ethylsulfonylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 91956600
7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 6484700
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 36958018
7-[4-[(4-bromo-3-fluorophenyl)methyl]piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133345062
2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine
CID 63338782

Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 18191273) is 7-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(OCCN2CCN(c3cc(C)nc4ncnn34)CC2)cc1.
What is the InChIKey of 7-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ZXKMGFGXHHJJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-15-13-18(25-19(22-15)20-14-21-25)24-9-7-23(8-10-24)11-12-27-17-5-3-16(26-2)4-6-17/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 7-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 368.44 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 18191273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).