4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-ethylmorpholine

C11H14ClN5O — CID 102918480

IUPAC4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-ethylmorpholine
SMILESCCC1COCCN1c1cc(Cl)nc2ncnn12
InChIInChI=1S/C11H14ClN5O/c1-2-8-6-18-4-3-16(8)10-5-9(12)15-11-13-7-14-17(10)11/h5,7-8H,2-4,6H2,1H3
InChIKeyUCJSACIMWQJMTI-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.39
Rot. Bonds2

About 4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-ethylmorpholine

4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-ethylmorpholine (PubChem CID 102918480) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-ethylmorpholine.

Molecular Properties

Compound Name4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-ethylmorpholine
PubChem CID102918480
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-ethylmorpholine
SMILESCCC1COCCN1c1cc(Cl)nc2ncnn12
InChIInChI=1S/C11H14ClN5O/c1-2-8-6-18-4-3-16(8)10-5-9(12)15-11-13-7-14-17(10)11/h5,7-8H,2-4,6H2,1H3
InChIKeyUCJSACIMWQJMTI-UHFFFAOYSA-N
XLogP1.39
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 102918670
5-chloro-7-(2,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919199
4-chloro-6-(3-ethylmorpholin-4-yl)-N-methylpyrimidin-2-amine
CID 76806771
5-chloro-7-(4-ethyl-3-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918842
4-(6-chloro-2-pyridinyl)-3-ethylmorpholine
CID 63585973
7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918340
[(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol
CID 95296940
5-chloro-N-methyl-N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918851
(3S)-3-ethyl-4-[4-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 175844619
4-(4-chloro-1,3-thiazol-2-yl)-3-ethylmorpholine
CID 83157051
3-(5-ethylfuran-2-yl)-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 71977914
4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-3-ethylmorpholine
CID 114920876

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-ethylmorpholine?
The IUPAC name of 4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-ethylmorpholine (CID 102918480) is 4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-ethylmorpholine.
What is the SMILES notation for 4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-ethylmorpholine?
The canonical SMILES for 4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-ethylmorpholine is CCC1COCCN1c1cc(Cl)nc2ncnn12.
What is the InChIKey of 4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-ethylmorpholine?
The InChIKey is UCJSACIMWQJMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-2-8-6-18-4-3-16(8)10-5-9(12)15-11-13-7-14-17(10)11/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-ethylmorpholine?
4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-ethylmorpholine has a molecular weight of 267.72 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 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)-3-ethylmorpholine is sourced from PubChem (CID 102918480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).