2-[5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-naphthalen-1-yl-1,2,4-triazol-3-yl]acetamide

C21H26N6O — CID 74238135

IUPAC2-[5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-naphthalen-1-yl-1,2,4-triazol-3-yl]acetamide
SMILESCN1CCCN(Cc2nc(CC(N)=O)nn2-c2cccc3ccccc23)CC1
InChIInChI=1S/C21H26N6O/c1-25-10-5-11-26(13-12-25)15-21-23-20(14-19(22)28)24-27(21)18-9-4-7-16-6-2-3-8-17(16)18/h2-4,6-9H,5,10-15H2,1H3,(H2,22,28)
InChIKeySKWFLAKDJGBQHD-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.59
Rot. Bonds5

About 2-[5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-naphthalen-1-yl-1,2,4-triazol-3-yl]acetamide

2-[5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-naphthalen-1-yl-1,2,4-triazol-3-yl]acetamide (PubChem CID 74238135) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-naphthalen-1-yl-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-naphthalen-1-yl-1,2,4-triazol-3-yl]acetamide
PubChem CID74238135
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name2-[5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-naphthalen-1-yl-1,2,4-triazol-3-yl]acetamide
SMILESCN1CCCN(Cc2nc(CC(N)=O)nn2-c2cccc3ccccc23)CC1
InChIInChI=1S/C21H26N6O/c1-25-10-5-11-26(13-12-25)15-21-23-20(14-19(22)28)24-27(21)18-9-4-7-16-6-2-3-8-17(16)18/h2-4,6-9H,5,10-15H2,1H3,(H2,22,28)
InChIKeySKWFLAKDJGBQHD-UHFFFAOYSA-N
XLogP1.59
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-naphthalen-1-yl-1,2,4-triazol-3-yl]acetamide with MolForge

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Related Compounds

2-[1-ethyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide;formic acid
CID 154913117
4-[(4-methylquinazolin-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 75386144
[2-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
CID 107113059
2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]acetic acid
CID 105345632
[3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid
CID 54971146
2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
CID 8679806
1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-naphthalen-1-ylprop-2-yn-1-one
CID 3778508
4-benzyl-11-methyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
CID 12011735
[6-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-pyridinyl]hydrazine
CID 79242779
2-(4-methylpiperazin-1-yl)ethyl naphthalene-1-carboxylate
CID 171343955
2-[1-cyclohexyl-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 72846394
2-[1-(2,4-dimethylphenyl)-5-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide
CID 97446199

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-naphthalen-1-yl-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-naphthalen-1-yl-1,2,4-triazol-3-yl]acetamide (CID 74238135) is 2-[5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-naphthalen-1-yl-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-naphthalen-1-yl-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-naphthalen-1-yl-1,2,4-triazol-3-yl]acetamide is CN1CCCN(Cc2nc(CC(N)=O)nn2-c2cccc3ccccc23)CC1.
What is the InChIKey of 2-[5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-naphthalen-1-yl-1,2,4-triazol-3-yl]acetamide?
The InChIKey is SKWFLAKDJGBQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-25-10-5-11-26(13-12-25)15-21-23-20(14-19(22)28)24-27(21)18-9-4-7-16-6-2-3-8-17(16)18/h2-4,6-9H,5,10-15H2,1H3,(H2,22,28).
What are the key properties of 2-[5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-naphthalen-1-yl-1,2,4-triazol-3-yl]acetamide?
2-[5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-naphthalen-1-yl-1,2,4-triazol-3-yl]acetamide has a molecular weight of 378.48 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-naphthalen-1-yl-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 74238135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).