N-benzyl-N-[5-(dibenzylamino)-1-methyl-1,2,4-triazol-3-yl]acetamide

C26H27N5O — CID 166705809

IUPACN-benzyl-N-[5-(dibenzylamino)-1-methyl-1,2,4-triazol-3-yl]acetamide
SMILESCC(=O)N(Cc1ccccc1)c1nc(N(Cc2ccccc2)Cc2ccccc2)n(C)n1
InChIInChI=1S/C26H27N5O/c1-21(32)31(20-24-16-10-5-11-17-24)25-27-26(29(2)28-25)30(18-22-12-6-3-7-13-22)19-23-14-8-4-9-15-23/h3-17H,18-20H2,1-2H3
InChIKeyTXBHOAKJTNAFLH-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.57
Rot. Bonds8

About N-benzyl-N-[5-(dibenzylamino)-1-methyl-1,2,4-triazol-3-yl]acetamide

N-benzyl-N-[5-(dibenzylamino)-1-methyl-1,2,4-triazol-3-yl]acetamide (PubChem CID 166705809) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is N-benzyl-N-[5-(dibenzylamino)-1-methyl-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[5-(dibenzylamino)-1-methyl-1,2,4-triazol-3-yl]acetamide
PubChem CID166705809
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC NameN-benzyl-N-[5-(dibenzylamino)-1-methyl-1,2,4-triazol-3-yl]acetamide
SMILESCC(=O)N(Cc1ccccc1)c1nc(N(Cc2ccccc2)Cc2ccccc2)n(C)n1
InChIInChI=1S/C26H27N5O/c1-21(32)31(20-24-16-10-5-11-17-24)25-27-26(29(2)28-25)30(18-22-12-6-3-7-13-22)19-23-14-8-4-9-15-23/h3-17H,18-20H2,1-2H3
InChIKeyTXBHOAKJTNAFLH-UHFFFAOYSA-N
XLogP4.57
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 52554768
N-benzyl-N-quinazolin-6-ylacetamide
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CID 109302213
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CID 23563457

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[5-(dibenzylamino)-1-methyl-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of N-benzyl-N-[5-(dibenzylamino)-1-methyl-1,2,4-triazol-3-yl]acetamide (CID 166705809) is N-benzyl-N-[5-(dibenzylamino)-1-methyl-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for N-benzyl-N-[5-(dibenzylamino)-1-methyl-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for N-benzyl-N-[5-(dibenzylamino)-1-methyl-1,2,4-triazol-3-yl]acetamide is CC(=O)N(Cc1ccccc1)c1nc(N(Cc2ccccc2)Cc2ccccc2)n(C)n1.
What is the InChIKey of N-benzyl-N-[5-(dibenzylamino)-1-methyl-1,2,4-triazol-3-yl]acetamide?
The InChIKey is TXBHOAKJTNAFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-21(32)31(20-24-16-10-5-11-17-24)25-27-26(29(2)28-25)30(18-22-12-6-3-7-13-22)19-23-14-8-4-9-15-23/h3-17H,18-20H2,1-2H3.
What are the key properties of N-benzyl-N-[5-(dibenzylamino)-1-methyl-1,2,4-triazol-3-yl]acetamide?
N-benzyl-N-[5-(dibenzylamino)-1-methyl-1,2,4-triazol-3-yl]acetamide has a molecular weight of 425.54 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[5-(dibenzylamino)-1-methyl-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 166705809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).