[2-(1-aminoethyl)morpholin-4-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone

C12H21N5O2 — CID 115315127

IUPAC[2-(1-aminoethyl)morpholin-4-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
SMILESCC(C)c1nc(C(=O)N2CCOC(C(C)N)C2)n[nH]1
InChIInChI=1S/C12H21N5O2/c1-7(2)10-14-11(16-15-10)12(18)17-4-5-19-9(6-17)8(3)13/h7-9H,4-6,13H2,1-3H3,(H,14,15,16)
InChIKeyXNZKPZSYQOOMBZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.12
Rot. Bonds3

About [2-(1-aminoethyl)morpholin-4-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone

[2-(1-aminoethyl)morpholin-4-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone (PubChem CID 115315127) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is [2-(1-aminoethyl)morpholin-4-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)morpholin-4-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
PubChem CID115315127
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name[2-(1-aminoethyl)morpholin-4-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
SMILESCC(C)c1nc(C(=O)N2CCOC(C(C)N)C2)n[nH]1
InChIInChI=1S/C12H21N5O2/c1-7(2)10-14-11(16-15-10)12(18)17-4-5-19-9(6-17)8(3)13/h7-9H,4-6,13H2,1-3H3,(H,14,15,16)
InChIKeyXNZKPZSYQOOMBZ-UHFFFAOYSA-N
XLogP0.12
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(1-aminoethyl)morpholin-4-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone with MolForge

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Related Compounds

[2-(1-aminoethyl)morpholin-4-yl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanone
CID 113284993
[2-(1-aminoethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 81485136
[2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 81484704
4-[2-(1-aminoethyl)morpholine-4-carbonyl]-1,3-dihydroimidazol-2-one
CID 113285001
[2-(1-aminoethyl)morpholin-4-yl]-naphthalen-2-ylmethanone
CID 81485463
6-[2-(1-aminoethyl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione
CID 115315193
(3-methoxy-4-methylpiperidin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
CID 102963862
[2-(1-aminoethyl)morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 81484968
2-amino-1-[2-(1-aminoethyl)morpholin-4-yl]propan-1-one
CID 131134178
[3-(1-aminoethyl)pyrrolidin-1-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone
CID 113360699
[2-(1-aminoethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 81484356
[2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 81424177

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone?
The IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone (CID 115315127) is [2-(1-aminoethyl)morpholin-4-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)morpholin-4-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for [2-(1-aminoethyl)morpholin-4-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone is CC(C)c1nc(C(=O)N2CCOC(C(C)N)C2)n[nH]1.
What is the InChIKey of [2-(1-aminoethyl)morpholin-4-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone?
The InChIKey is XNZKPZSYQOOMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-7(2)10-14-11(16-15-10)12(18)17-4-5-19-9(6-17)8(3)13/h7-9H,4-6,13H2,1-3H3,(H,14,15,16).
What are the key properties of [2-(1-aminoethyl)morpholin-4-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone?
[2-(1-aminoethyl)morpholin-4-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone has a molecular weight of 267.33 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)morpholin-4-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 115315127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).