2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine

C13H17N5O — CID 126807770

IUPAC2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine
SMILESCCn1cnnc1C1CN(c2ccccn2)CCO1
InChIInChI=1S/C13H17N5O/c1-2-17-10-15-16-13(17)11-9-18(7-8-19-11)12-5-3-4-6-14-12/h3-6,10-11H,2,7-9H2,1H3
InChIKeyMXCHOZYMCRNFPQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.27
Rot. Bonds3

About 2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine

2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine (PubChem CID 126807770) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine.

Molecular Properties

Compound Name2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine
PubChem CID126807770
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine
SMILESCCn1cnnc1C1CN(c2ccccn2)CCO1
InChIInChI=1S/C13H17N5O/c1-2-17-10-15-16-13(17)11-9-18(7-8-19-11)12-5-3-4-6-14-12/h3-6,10-11H,2,7-9H2,1H3
InChIKeyMXCHOZYMCRNFPQ-UHFFFAOYSA-N
XLogP1.27
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethyl-1,2,4-triazol-3-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 126800921
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(4-methoxypyrimidin-2-yl)morpholine
CID 129334871
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]morpholine
CID 154755868
4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile
CID 128998417
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(8-methylquinazolin-4-yl)morpholine
CID 129329476
(2S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129332145
[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone
CID 129329703
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine
CID 129344159
[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 128990609
2-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-5-fluoro-1,3-benzoxazole
CID 129001083
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholine
CID 128996126
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]morpholine
CID 129342975

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine?
The IUPAC name of 2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine (CID 126807770) is 2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine.
What is the SMILES notation for 2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine?
The canonical SMILES for 2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine is CCn1cnnc1C1CN(c2ccccn2)CCO1.
What is the InChIKey of 2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine?
The InChIKey is MXCHOZYMCRNFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-17-10-15-16-13(17)11-9-18(7-8-19-11)12-5-3-4-6-14-12/h3-6,10-11H,2,7-9H2,1H3.
What are the key properties of 2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine?
2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine has a molecular weight of 259.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine is sourced from PubChem (CID 126807770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).