5-amino-N-benzyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide

C18H19N5O — CID 20862522

IUPAC5-amino-N-benzyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
SMILESCc1ccccc1Cn1nnc(C(=O)NCc2ccccc2)c1N
InChIInChI=1S/C18H19N5O/c1-13-7-5-6-10-15(13)12-23-17(19)16(21-22-23)18(24)20-11-14-8-3-2-4-9-14/h2-10H,11-12,19H2,1H3,(H,20,24)
InChIKeyUNFKVZDOOHLXFZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.15
Rot. Bonds5

About 5-amino-N-benzyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide

5-amino-N-benzyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide (PubChem CID 20862522) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-amino-N-benzyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-benzyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
PubChem CID20862522
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name5-amino-N-benzyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
SMILESCc1ccccc1Cn1nnc(C(=O)NCc2ccccc2)c1N
InChIInChI=1S/C18H19N5O/c1-13-7-5-6-10-15(13)12-23-17(19)16(21-22-23)18(24)20-11-14-8-3-2-4-9-14/h2-10H,11-12,19H2,1H3,(H,20,24)
InChIKeyUNFKVZDOOHLXFZ-UHFFFAOYSA-N
XLogP2.15
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-benzyl-1-[2-(2,6-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide
CID 20853713
5-amino-1-benzyl-N-[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 7385903
5-amino-N-benzyl-1-(2-methylphenyl)triazole-4-carboxamide
CID 17015755
5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide
CID 6619515
5-amino-N-benzyl-1-methyltriazole-4-carboxamide
CID 1499694
5-amino-N-(3,4-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
CID 7386220
5-amino-N-benzyl-1-phenyltriazole-4-carboxamide
CID 17015753
5-amino-1-benzyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 7385917
1-(5-amino-1-benzyltriazol-4-yl)ethanone
CID 130018260
5-amino-N-[(3-methoxyphenyl)methyl]-1-[2-(2-methylanilino)-2-oxoethyl]triazole-4-carboxamide
CID 2134784
5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 3238804
2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097211

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-benzyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 5-amino-N-benzyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide (CID 20862522) is 5-amino-N-benzyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-benzyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-benzyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide is Cc1ccccc1Cn1nnc(C(=O)NCc2ccccc2)c1N.
What is the InChIKey of 5-amino-N-benzyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide?
The InChIKey is UNFKVZDOOHLXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-7-5-6-10-15(13)12-23-17(19)16(21-22-23)18(24)20-11-14-8-3-2-4-9-14/h2-10H,11-12,19H2,1H3,(H,20,24).
What are the key properties of 5-amino-N-benzyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide?
5-amino-N-benzyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-benzyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 20862522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).