(3-ethoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone

C19H21N5O3 — CID 118470961

IUPAC(3-ethoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCCOc1cccc(C(=O)N2CCOC(c3cc(C)nc4ncnn34)C2)c1
InChIInChI=1S/C19H21N5O3/c1-3-26-15-6-4-5-14(10-15)18(25)23-7-8-27-17(11-23)16-9-13(2)22-19-20-12-21-24(16)19/h4-6,9-10,12,17H,3,7-8,11H2,1-2H3
InChIKeyNCPLISAPCAKTAJ-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.05
Rot. Bonds4

About (3-ethoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone

(3-ethoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (PubChem CID 118470961) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is (3-ethoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-ethoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
PubChem CID118470961
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name(3-ethoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCCOc1cccc(C(=O)N2CCOC(c3cc(C)nc4ncnn34)C2)c1
InChIInChI=1S/C19H21N5O3/c1-3-26-15-6-4-5-14(10-15)18(25)23-7-8-27-17(11-23)16-9-13(2)22-19-20-12-21-24(16)19/h4-6,9-10,12,17H,3,7-8,11H2,1-2H3
InChIKeyNCPLISAPCAKTAJ-UHFFFAOYSA-N
XLogP2.05
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The IUPAC name of (3-ethoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (CID 118470961) is (3-ethoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-ethoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The canonical SMILES for (3-ethoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is CCOc1cccc(C(=O)N2CCOC(c3cc(C)nc4ncnn34)C2)c1.
What is the InChIKey of (3-ethoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The InChIKey is NCPLISAPCAKTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-3-26-15-6-4-5-14(10-15)18(25)23-7-8-27-17(11-23)16-9-13(2)22-19-20-12-21-24(16)19/h4-6,9-10,12,17H,3,7-8,11H2,1-2H3.
What are the key properties of (3-ethoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
(3-ethoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone has a molecular weight of 367.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 118470961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).