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

C12H21N5O2 — CID 62119030

IUPAC2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NC(C)c1nncn1C)C(=O)N1CCOCC1
InChIInChI=1S/C12H21N5O2/c1-9(11-15-13-8-16(11)3)14-10(2)12(18)17-4-6-19-7-5-17/h8-10,14H,4-7H2,1-3H3
InChIKeyLSKRDTSILBPXCQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.29
Rot. Bonds4

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

2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 62119030) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID62119030
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NC(C)c1nncn1C)C(=O)N1CCOCC1
InChIInChI=1S/C12H21N5O2/c1-9(11-15-13-8-16(11)3)14-10(2)12(18)17-4-6-19-7-5-17/h8-10,14H,4-7H2,1-3H3
InChIKeyLSKRDTSILBPXCQ-UHFFFAOYSA-N
XLogP-0.29
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one (CID 62119030) is 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one is CC(NC(C)c1nncn1C)C(=O)N1CCOCC1.
What is the InChIKey of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is LSKRDTSILBPXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-9(11-15-13-8-16(11)3)14-10(2)12(18)17-4-6-19-7-5-17/h8-10,14H,4-7H2,1-3H3.
What are the key properties of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one?
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 267.33 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 62119030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).