1-benzyl-5-methyltriazole-4-carboxamide

C11H12N4O — CID 18526204

IUPAC1-benzyl-5-methyltriazole-4-carboxamide
SMILESCc1c(C(N)=O)nnn1Cc1ccccc1
InChIInChI=1S/C11H12N4O/c1-8-10(11(12)16)13-14-15(8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,12,16)
InChIKeyAROOFEHOERSTIR-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.73
Rot. Bonds3

About 1-benzyl-5-methyltriazole-4-carboxamide

1-benzyl-5-methyltriazole-4-carboxamide (PubChem CID 18526204) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-benzyl-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-methyltriazole-4-carboxamide
PubChem CID18526204
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name1-benzyl-5-methyltriazole-4-carboxamide
SMILESCc1c(C(N)=O)nnn1Cc1ccccc1
InChIInChI=1S/C11H12N4O/c1-8-10(11(12)16)13-14-15(8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,12,16)
InChIKeyAROOFEHOERSTIR-UHFFFAOYSA-N
XLogP0.73
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Rufinamide
CID 129228
3-Benzyl-5-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
CID 135447439
5-Amino-1-benzyl-1H-1,2,3-triazole-4-carboxamide
CID 225435
1-[(4-Fluorophenyl)methyl]-4-methyl-1H,6H,7H-[1,2,3]triazolo[4,5-D]pyridazin-7-one
CID 23606897
3-benzyl-7-propyl-3,5-dihydro-4H-[1,2,3]triazolo[4,5-d]pyridazin-4-one
CID 23607531
[(1R)-1-[(1-benzyl-5-methyltriazole-4-carbonyl)amino]-3-methylbutyl]boronic acid
CID 155534083
3-(2-chlorobenzyl)-7-methyl-3,5-dihydro-4H-[1,2,3]triazolo[4,5-d]pyridazin-4-one
CID 23606916
3-(2-fluorobenzyl)-7-isobutyl-3,5-dihydro-4H-[1,2,3]triazolo[4,5-d]pyridazin-4-one
CID 23607518
3-(2-fluorobenzyl)-7-propyl-3,5-dihydro-4H-[1,2,3]triazolo[4,5-d]pyridazin-4-one
CID 23607520
1-(4-Fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide
CID 15988407
3-benzyl-5-propyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
CID 135421631
5-Amino-1-benzyltriazole-4-carbohydrazide
CID 269894

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-methyltriazole-4-carboxamide (CID 18526204) is 1-benzyl-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-methyltriazole-4-carboxamide is Cc1c(C(N)=O)nnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-methyltriazole-4-carboxamide?
The InChIKey is AROOFEHOERSTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8-10(11(12)16)13-14-15(8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,12,16).
What are the key properties of 1-benzyl-5-methyltriazole-4-carboxamide?
1-benzyl-5-methyltriazole-4-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 18526204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).