2-(diethylamino)-N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide

C16H23N5O2 — CID 51050636

IUPAC2-(diethylamino)-N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide
SMILESCCN(CC)CC(=O)NCc1cn(-c2cccc(OC)c2)nn1
InChIInChI=1S/C16H23N5O2/c1-4-20(5-2)12-16(22)17-10-13-11-21(19-18-13)14-7-6-8-15(9-14)23-3/h6-9,11H,4-5,10,12H2,1-3H3,(H,17,22)
InChIKeyJEBTXUGMZBCSIX-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.23
Rot. Bonds8

About 2-(diethylamino)-N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide

2-(diethylamino)-N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide (PubChem CID 51050636) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(diethylamino)-N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide
PubChem CID51050636
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name2-(diethylamino)-N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide
SMILESCCN(CC)CC(=O)NCc1cn(-c2cccc(OC)c2)nn1
InChIInChI=1S/C16H23N5O2/c1-4-20(5-2)12-16(22)17-10-13-11-21(19-18-13)14-7-6-8-15(9-14)23-3/h6-9,11H,4-5,10,12H2,1-3H3,(H,17,22)
InChIKeyJEBTXUGMZBCSIX-UHFFFAOYSA-N
XLogP1.23
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide (CID 51050636) is 2-(diethylamino)-N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide is CCN(CC)CC(=O)NCc1cn(-c2cccc(OC)c2)nn1.
What is the InChIKey of 2-(diethylamino)-N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide?
The InChIKey is JEBTXUGMZBCSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-4-20(5-2)12-16(22)17-10-13-11-21(19-18-13)14-7-6-8-15(9-14)23-3/h6-9,11H,4-5,10,12H2,1-3H3,(H,17,22).
What are the key properties of 2-(diethylamino)-N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide?
2-(diethylamino)-N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 51050636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).