2-[3-(2-morpholin-4-ylphenyl)-1H-1,2,4-triazol-5-yl]acetamide

C14H17N5O2 — CID 131931649

IUPAC2-[3-(2-morpholin-4-ylphenyl)-1H-1,2,4-triazol-5-yl]acetamide
SMILESNC(=O)Cc1nc(-c2ccccc2N2CCOCC2)n[nH]1
InChIInChI=1S/C14H17N5O2/c15-12(20)9-13-16-14(18-17-13)10-3-1-2-4-11(10)19-5-7-21-8-6-19/h1-4H,5-9H2,(H2,15,20)(H,16,17,18)
InChIKeyRBHRAZCETIHESE-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.34
Rot. Bonds4

About 2-[3-(2-morpholin-4-ylphenyl)-1H-1,2,4-triazol-5-yl]acetamide

2-[3-(2-morpholin-4-ylphenyl)-1H-1,2,4-triazol-5-yl]acetamide (PubChem CID 131931649) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[3-(2-morpholin-4-ylphenyl)-1H-1,2,4-triazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[3-(2-morpholin-4-ylphenyl)-1H-1,2,4-triazol-5-yl]acetamide
PubChem CID131931649
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-[3-(2-morpholin-4-ylphenyl)-1H-1,2,4-triazol-5-yl]acetamide
SMILESNC(=O)Cc1nc(-c2ccccc2N2CCOCC2)n[nH]1
InChIInChI=1S/C14H17N5O2/c15-12(20)9-13-16-14(18-17-13)10-3-1-2-4-11(10)19-5-7-21-8-6-19/h1-4H,5-9H2,(H2,15,20)(H,16,17,18)
InChIKeyRBHRAZCETIHESE-UHFFFAOYSA-N
XLogP0.34
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-morpholin-4-ylphenyl)-1H-1,2,4-triazol-5-yl]acetamide?
The IUPAC name of 2-[3-(2-morpholin-4-ylphenyl)-1H-1,2,4-triazol-5-yl]acetamide (CID 131931649) is 2-[3-(2-morpholin-4-ylphenyl)-1H-1,2,4-triazol-5-yl]acetamide.
What is the SMILES notation for 2-[3-(2-morpholin-4-ylphenyl)-1H-1,2,4-triazol-5-yl]acetamide?
The canonical SMILES for 2-[3-(2-morpholin-4-ylphenyl)-1H-1,2,4-triazol-5-yl]acetamide is NC(=O)Cc1nc(-c2ccccc2N2CCOCC2)n[nH]1.
What is the InChIKey of 2-[3-(2-morpholin-4-ylphenyl)-1H-1,2,4-triazol-5-yl]acetamide?
The InChIKey is RBHRAZCETIHESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c15-12(20)9-13-16-14(18-17-13)10-3-1-2-4-11(10)19-5-7-21-8-6-19/h1-4H,5-9H2,(H2,15,20)(H,16,17,18).
What are the key properties of 2-[3-(2-morpholin-4-ylphenyl)-1H-1,2,4-triazol-5-yl]acetamide?
2-[3-(2-morpholin-4-ylphenyl)-1H-1,2,4-triazol-5-yl]acetamide has a molecular weight of 287.32 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-morpholin-4-ylphenyl)-1H-1,2,4-triazol-5-yl]acetamide is sourced from PubChem (CID 131931649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).