2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one

C11H19N5O2 — CID 55037923

IUPAC2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NCc1nncn1C)C(=O)N1CCOCC1
InChIInChI=1S/C11H19N5O2/c1-9(11(17)16-3-5-18-6-4-16)12-7-10-14-13-8-15(10)2/h8-9,12H,3-7H2,1-2H3
InChIKeyABFSVZBSRSQKMV-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.85
Rot. Bonds4

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

2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 55037923) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID55037923
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NCc1nncn1C)C(=O)N1CCOCC1
InChIInChI=1S/C11H19N5O2/c1-9(11(17)16-3-5-18-6-4-16)12-7-10-14-13-8-15(10)2/h8-9,12H,3-7H2,1-2H3
InChIKeyABFSVZBSRSQKMV-UHFFFAOYSA-N
XLogP-0.85
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 47253001
2-(1-isopropyl-3-oxopiperazin-2-yl)-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]acetamide
CID 50970582
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea
CID 51082705
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-methyl-2-morpholin-4-ylbutyl)urea
CID 53504326
N-(3-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 53518710
N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 53522715
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-2-morpholinecarboxamide
CID 56882213
N-cyclopentyl-2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]acetamide
CID 72141730
N-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-2,5-dimethylmorpholine-4-carboxamide
CID 75397424
1H-1,2,4-triazol-3-yl-N-(2-morpholin-4-ylethyl)carboxamide
CID 567711
methyl (1-methyl-2-oxo-2-{[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]amino}ethyl)carbamate
CID 91778668
(2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 94020930

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one (CID 55037923) is 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one is CC(NCc1nncn1C)C(=O)N1CCOCC1.
What is the InChIKey of 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is ABFSVZBSRSQKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-9(11(17)16-3-5-18-6-4-16)12-7-10-14-13-8-15(10)2/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one?
2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 253.31 g/mol, XLogP of -0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 55037923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).