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

C19H23N5O3 — CID 166785959

IUPAC(4-methoxy-3-methylphenyl)-[2-(5-methyl-1,2-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCOC(C3=CC(C)=NC4=NCNN34)C2)cc1C
InChIInChI=1S/C19H23N5O3/c1-12-8-14(4-5-16(12)26-3)18(25)23-6-7-27-17(10-23)15-9-13(2)22-19-20-11-21-24(15)19/h4-5,8-9,17,21H,6-7,10-11H2,1-3H3
InChIKeyLVNHDNUUKKNAJF-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.34
Rot. Bonds3

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

(4-methoxy-3-methylphenyl)-[2-(5-methyl-1,2-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (PubChem CID 166785959) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is (4-methoxy-3-methylphenyl)-[2-(5-methyl-1,2-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-3-methylphenyl)-[2-(5-methyl-1,2-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
PubChem CID166785959
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name(4-methoxy-3-methylphenyl)-[2-(5-methyl-1,2-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCOC(C3=CC(C)=NC4=NCNN34)C2)cc1C
InChIInChI=1S/C19H23N5O3/c1-12-8-14(4-5-16(12)26-3)18(25)23-6-7-27-17(10-23)15-9-13(2)22-19-20-11-21-24(15)19/h4-5,8-9,17,21H,6-7,10-11H2,1-3H3
InChIKeyLVNHDNUUKKNAJF-UHFFFAOYSA-N
XLogP1.34
TPSA78.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-methoxy-3-methylphenyl)-[2-(5-methyl-1,2-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone with MolForge

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Related Compounds

[2-(5-methyl-1,2-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-quinolin-3-ylmethanone
CID 139470055
(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894714
(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95970544
(3-methoxy-4-methylphenyl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129006421
[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 125016156
[(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 129462233
[(2R)-2-ethylmorpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 51934437
[2-(chloromethyl)morpholin-4-yl]-(3,4-dimethoxyphenyl)methanone
CID 81210339
1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone
CID 110761022
(3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone
CID 16775016
(4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 82480569
1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327211

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-methylphenyl)-[2-(5-methyl-1,2-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The IUPAC name of (4-methoxy-3-methylphenyl)-[2-(5-methyl-1,2-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (CID 166785959) is (4-methoxy-3-methylphenyl)-[2-(5-methyl-1,2-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-methoxy-3-methylphenyl)-[2-(5-methyl-1,2-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4-methoxy-3-methylphenyl)-[2-(5-methyl-1,2-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is COc1ccc(C(=O)N2CCOC(C3=CC(C)=NC4=NCNN34)C2)cc1C.
What is the InChIKey of (4-methoxy-3-methylphenyl)-[2-(5-methyl-1,2-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The InChIKey is LVNHDNUUKKNAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-12-8-14(4-5-16(12)26-3)18(25)23-6-7-27-17(10-23)15-9-13(2)22-19-20-11-21-24(15)19/h4-5,8-9,17,21H,6-7,10-11H2,1-3H3.
What are the key properties of (4-methoxy-3-methylphenyl)-[2-(5-methyl-1,2-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
(4-methoxy-3-methylphenyl)-[2-(5-methyl-1,2-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone has a molecular weight of 369.43 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-methylphenyl)-[2-(5-methyl-1,2-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 166785959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).