2-(4-acetamidotriazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide

C12H20N6O3 — CID 112520327

IUPAC2-(4-acetamidotriazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCC(=O)Nc1cn(CC(=O)NCCN2CCOCC2)nn1
InChIInChI=1S/C12H20N6O3/c1-10(19)14-11-8-18(16-15-11)9-12(20)13-2-3-17-4-6-21-7-5-17/h8H,2-7,9H2,1H3,(H,13,20)(H,14,19)
InChIKeyXMYNLOGZWJTUHE-UHFFFAOYSA-N
MW296.33 g/mol
LogP-1.32
Rot. Bonds6

About 2-(4-acetamidotriazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide

2-(4-acetamidotriazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 112520327) has the molecular formula C12H20N6O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(4-acetamidotriazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidotriazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID112520327
Molecular FormulaC12H20N6O3
Molecular Weight296.33 g/mol
Exact Mass296.16
IUPAC Name2-(4-acetamidotriazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCC(=O)Nc1cn(CC(=O)NCCN2CCOCC2)nn1
InChIInChI=1S/C12H20N6O3/c1-10(19)14-11-8-18(16-15-11)9-12(20)13-2-3-17-4-6-21-7-5-17/h8H,2-7,9H2,1H3,(H,13,20)(H,14,19)
InChIKeyXMYNLOGZWJTUHE-UHFFFAOYSA-N
XLogP-1.32
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112520335
2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 19526449
N-(2-morpholin-4-ylethyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19516114
4-acetamido-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 59656712
4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2-morpholin-4-ylethyl)butanamide
CID 29339406
1-[2-oxo-2-(2-piperazin-1-ylethylamino)ethyl]triazole-4-carboxylic acid
CID 66290153
2-(4-acetamidotriazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 112529522
2-(4-acetamidotriazol-1-yl)-N-[(2,6-difluorophenyl)methyl]acetamide
CID 112522503
2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 108993688
2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4629546
2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112520071
3-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 19561890

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidotriazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(4-acetamidotriazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide (CID 112520327) is 2-(4-acetamidotriazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(4-acetamidotriazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(4-acetamidotriazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide is CC(=O)Nc1cn(CC(=O)NCCN2CCOCC2)nn1.
What is the InChIKey of 2-(4-acetamidotriazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is XMYNLOGZWJTUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O3/c1-10(19)14-11-8-18(16-15-11)9-12(20)13-2-3-17-4-6-21-7-5-17/h8H,2-7,9H2,1H3,(H,13,20)(H,14,19).
What are the key properties of 2-(4-acetamidotriazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(4-acetamidotriazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 296.33 g/mol, XLogP of -1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidotriazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 112520327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).