2-(3-amino-1,2,4-triazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide

C11H20N6O2 — CID 54902131

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESNc1ncn(CC(=O)NCCCN2CCOCC2)n1
InChIInChI=1S/C11H20N6O2/c12-11-14-9-17(15-11)8-10(18)13-2-1-3-16-4-6-19-7-5-16/h9H,1-8H2,(H2,12,15)(H,13,18)
InChIKeyVDSFOJXVPRSVBP-UHFFFAOYSA-N
MW268.32 g/mol
LogP-1.30
Rot. Bonds6

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 54902131) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID54902131
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESNc1ncn(CC(=O)NCCCN2CCOCC2)n1
InChIInChI=1S/C11H20N6O2/c12-11-14-9-17(15-11)8-10(18)13-2-1-3-16-4-6-19-7-5-16/h9H,1-8H2,(H2,12,15)(H,13,18)
InChIKeyVDSFOJXVPRSVBP-UHFFFAOYSA-N
XLogP-1.30
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61241529
2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 19526449
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 106324469
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-cyclopentylpropyl)acetamide
CID 114136466
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide
CID 61016737
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 19521841
2,2-dimethyl-N'-(3-morpholin-4-ylpropyl)butanediamide
CID 173284706
2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 39854876
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylcarbamoylamino)ethyl]acetamide
CID 83107218

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide (CID 54902131) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide is Nc1ncn(CC(=O)NCCCN2CCOCC2)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is VDSFOJXVPRSVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c12-11-14-9-17(15-11)8-10(18)13-2-1-3-16-4-6-19-7-5-16/h9H,1-8H2,(H2,12,15)(H,13,18).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 268.32 g/mol, XLogP of -1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 54902131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).