4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-ethyl-2-methylmorpholine

C13H18ClN5O — CID 103076332

IUPAC4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1c1c(C)c(Cl)nc2ncnn12
InChIInChI=1S/C13H18ClN5O/c1-4-10-6-20-8(2)5-18(10)12-9(3)11(14)17-13-15-7-16-19(12)13/h7-8,10H,4-6H2,1-3H3
InChIKeyAQNZFNSGSKONHN-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.09
Rot. Bonds2

About 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-ethyl-2-methylmorpholine

4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-ethyl-2-methylmorpholine (PubChem CID 103076332) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-ethyl-2-methylmorpholine.

Molecular Properties

Compound Name4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-ethyl-2-methylmorpholine
PubChem CID103076332
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1c1c(C)c(Cl)nc2ncnn12
InChIInChI=1S/C13H18ClN5O/c1-4-10-6-20-8(2)5-18(10)12-9(3)11(14)17-13-15-7-16-19(12)13/h7-8,10H,4-6H2,1-3H3
InChIKeyAQNZFNSGSKONHN-UHFFFAOYSA-N
XLogP2.09
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-chloro-6-methyl-7-(2,3,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103076979
4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-5-ethyl-2-methylmorpholine
CID 80970469
4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 103076139
5-chloro-6-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103076148
3,5-dichloro-6-(5-ethyl-2-methylmorpholin-4-yl)pyridin-2-amine
CID 102756606
5-chloro-7-(4-chloropyrazol-1-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103077017
4-(5-bromo-2-chloropyrimidin-4-yl)-5-ethyl-2-methylmorpholine
CID 79075990
6-chloro-7-(2-ethylpiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 6501358
4-(5-bromo-3-chloro-2-pyridinyl)-5-ethyl-2-methylmorpholine
CID 103583164
4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-ethylmorpholine
CID 102918480
N-ethyl-6-(5-ethyl-2-methylmorpholin-4-yl)-5-methylpyrimidin-4-amine
CID 80796209
[6-(5-ethyl-2-methylmorpholin-4-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80896083

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-ethyl-2-methylmorpholine?
The IUPAC name of 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-ethyl-2-methylmorpholine (CID 103076332) is 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-ethyl-2-methylmorpholine.
What is the SMILES notation for 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-ethyl-2-methylmorpholine?
The canonical SMILES for 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-ethyl-2-methylmorpholine is CCC1COC(C)CN1c1c(C)c(Cl)nc2ncnn12.
What is the InChIKey of 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-ethyl-2-methylmorpholine?
The InChIKey is AQNZFNSGSKONHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-4-10-6-20-8(2)5-18(10)12-9(3)11(14)17-13-15-7-16-19(12)13/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-ethyl-2-methylmorpholine?
4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-ethyl-2-methylmorpholine has a molecular weight of 295.77 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-ethyl-2-methylmorpholine is sourced from PubChem (CID 103076332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).