N,N-diethyl-3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide

C16H22N4O2 — CID 163308243

IUPACN,N-diethyl-3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide
SMILESCCN(CC)C(=O)c1cccc(-c2nc(COC)n(C)n2)c1
InChIInChI=1S/C16H22N4O2/c1-5-20(6-2)16(21)13-9-7-8-12(10-13)15-17-14(11-22-4)19(3)18-15/h7-10H,5-6,11H2,1-4H3
InChIKeyGFUDQOYGGZAMPT-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.11
Rot. Bonds6

About N,N-diethyl-3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide

N,N-diethyl-3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide (PubChem CID 163308243) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N,N-diethyl-3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide
PubChem CID163308243
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN,N-diethyl-3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide
SMILESCCN(CC)C(=O)c1cccc(-c2nc(COC)n(C)n2)c1
InChIInChI=1S/C16H22N4O2/c1-5-20(6-2)16(21)13-9-7-8-12(10-13)15-17-14(11-22-4)19(3)18-15/h7-10H,5-6,11H2,1-4H3
InChIKeyGFUDQOYGGZAMPT-UHFFFAOYSA-N
XLogP2.11
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of N,N-diethyl-3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide (CID 163308243) is N,N-diethyl-3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for N,N-diethyl-3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for N,N-diethyl-3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide is CCN(CC)C(=O)c1cccc(-c2nc(COC)n(C)n2)c1.
What is the InChIKey of N,N-diethyl-3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide?
The InChIKey is GFUDQOYGGZAMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-5-20(6-2)16(21)13-9-7-8-12(10-13)15-17-14(11-22-4)19(3)18-15/h7-10H,5-6,11H2,1-4H3.
What are the key properties of N,N-diethyl-3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide?
N,N-diethyl-3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide has a molecular weight of 302.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 163308243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).