(4-methoxyphenyl)-[2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]morpholin-4-yl]methanone

C17H23N5O3 — CID 146147741

IUPAC(4-methoxyphenyl)-[2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]morpholin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCOC(CNCc3nncn3C)C2)cc1
InChIInChI=1S/C17H23N5O3/c1-21-12-19-20-16(21)10-18-9-15-11-22(7-8-25-15)17(23)13-3-5-14(24-2)6-4-13/h3-6,12,15,18H,7-11H2,1-2H3
InChIKeyOVWSOWCFALKRSW-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.45
Rot. Bonds6

About (4-methoxyphenyl)-[2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]morpholin-4-yl]methanone

(4-methoxyphenyl)-[2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]morpholin-4-yl]methanone (PubChem CID 146147741) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (4-methoxyphenyl)-[2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]morpholin-4-yl]methanone
PubChem CID146147741
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name(4-methoxyphenyl)-[2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]morpholin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCOC(CNCc3nncn3C)C2)cc1
InChIInChI=1S/C17H23N5O3/c1-21-12-19-20-16(21)10-18-9-15-11-22(7-8-25-15)17(23)13-3-5-14(24-2)6-4-13/h3-6,12,15,18H,7-11H2,1-2H3
InChIKeyOVWSOWCFALKRSW-UHFFFAOYSA-N
XLogP0.45
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-methoxyphenyl)-[2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]morpholin-4-yl]methanone with MolForge

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Related Compounds

[(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 42252495
[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 46041087
(4-ethoxyphenyl)-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129328081
methyl 2-[4-(4-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534950
[4-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 42861799
[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 124994504
methyl 2-[4-(4-bromobenzoyl)morpholin-2-yl]acetate
CID 79806173
methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate
CID 115535924
furan-3-yl-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 42861355
(3-methoxy-4-methylphenyl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129006421
[2-(1-aminoethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 81484356
(3,5-dimethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208576

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]morpholin-4-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]morpholin-4-yl]methanone (CID 146147741) is (4-methoxyphenyl)-[2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]morpholin-4-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]morpholin-4-yl]methanone is COc1ccc(C(=O)N2CCOC(CNCc3nncn3C)C2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]morpholin-4-yl]methanone?
The InChIKey is OVWSOWCFALKRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-21-12-19-20-16(21)10-18-9-15-11-22(7-8-25-15)17(23)13-3-5-14(24-2)6-4-13/h3-6,12,15,18H,7-11H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-[2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]morpholin-4-yl]methanone?
(4-methoxyphenyl)-[2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]morpholin-4-yl]methanone has a molecular weight of 345.40 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 146147741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).