2-morpholin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide

C11H19N5O2 — CID 75681051

IUPAC2-morpholin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
SMILESCC(Cn1cncn1)NC(=O)CN1CCOCC1
InChIInChI=1S/C11H19N5O2/c1-10(6-16-9-12-8-13-16)14-11(17)7-15-2-4-18-5-3-15/h8-10H,2-7H2,1H3,(H,14,17)
InChIKeyGJQPFORUORRPJO-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.88
Rot. Bonds5

About 2-morpholin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide

2-morpholin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide (PubChem CID 75681051) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
PubChem CID75681051
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-morpholin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
SMILESCC(Cn1cncn1)NC(=O)CN1CCOCC1
InChIInChI=1S/C11H19N5O2/c1-10(6-16-9-12-8-13-16)14-11(17)7-15-2-4-18-5-3-15/h8-10H,2-7H2,1H3,(H,14,17)
InChIKeyGJQPFORUORRPJO-UHFFFAOYSA-N
XLogP-0.88
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide (CID 75681051) is 2-morpholin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide is CC(Cn1cncn1)NC(=O)CN1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
The InChIKey is GJQPFORUORRPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-10(6-16-9-12-8-13-16)14-11(17)7-15-2-4-18-5-3-15/h8-10H,2-7H2,1H3,(H,14,17).
What are the key properties of 2-morpholin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
2-morpholin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide has a molecular weight of 253.31 g/mol, XLogP of -0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide is sourced from PubChem (CID 75681051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).