1-benzyl-N'-[3-(dimethylamino)benzoyl]triazole-4-carbohydrazide

C19H20N6O2 — CID 25333094

IUPAC1-benzyl-N'-[3-(dimethylamino)benzoyl]triazole-4-carbohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)c2cn(Cc3ccccc3)nn2)c1
InChIInChI=1S/C19H20N6O2/c1-24(2)16-10-6-9-15(11-16)18(26)21-22-19(27)17-13-25(23-20-17)12-14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyJJBBTFKIQNUHGQ-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.47
Rot. Bonds5

About 1-benzyl-N'-[3-(dimethylamino)benzoyl]triazole-4-carbohydrazide

1-benzyl-N'-[3-(dimethylamino)benzoyl]triazole-4-carbohydrazide (PubChem CID 25333094) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-benzyl-N'-[3-(dimethylamino)benzoyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-N'-[3-(dimethylamino)benzoyl]triazole-4-carbohydrazide
PubChem CID25333094
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name1-benzyl-N'-[3-(dimethylamino)benzoyl]triazole-4-carbohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)c2cn(Cc3ccccc3)nn2)c1
InChIInChI=1S/C19H20N6O2/c1-24(2)16-10-6-9-15(11-16)18(26)21-22-19(27)17-13-25(23-20-17)12-14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyJJBBTFKIQNUHGQ-UHFFFAOYSA-N
XLogP1.47
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541850
1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide
CID 36706465
1-benzyl-N-[(3-carbamoylphenyl)methyl]triazole-4-carboxamide
CID 32637465
1-benzyltriazole-4-carbonyl chloride
CID 87720228
N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide
CID 35052567
1-benzyl-N-(2,5-dichlorophenyl)triazole-4-carboxamide
CID 31701106
1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide
CID 18146607
1-benzyl-N-[2-(dimethylamino)-1-phenylethyl]triazole-4-carboxamide
CID 86917770
1-benzyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 18152035
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-(dimethylamino)benzamide
CID 131681401
N'-[3-(dimethylamino)benzoyl]-4-ethylthiadiazole-5-carbohydrazide
CID 37349014
N'-[3-(dimethylamino)benzoyl]-5-methylimidazo[1,2-a]pyridine-2-carbohydrazide
CID 37348998

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N'-[3-(dimethylamino)benzoyl]triazole-4-carbohydrazide?
The IUPAC name of 1-benzyl-N'-[3-(dimethylamino)benzoyl]triazole-4-carbohydrazide (CID 25333094) is 1-benzyl-N'-[3-(dimethylamino)benzoyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-benzyl-N'-[3-(dimethylamino)benzoyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-benzyl-N'-[3-(dimethylamino)benzoyl]triazole-4-carbohydrazide is CN(C)c1cccc(C(=O)NNC(=O)c2cn(Cc3ccccc3)nn2)c1.
What is the InChIKey of 1-benzyl-N'-[3-(dimethylamino)benzoyl]triazole-4-carbohydrazide?
The InChIKey is JJBBTFKIQNUHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-24(2)16-10-6-9-15(11-16)18(26)21-22-19(27)17-13-25(23-20-17)12-14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3,(H,21,26)(H,22,27).
What are the key properties of 1-benzyl-N'-[3-(dimethylamino)benzoyl]triazole-4-carbohydrazide?
1-benzyl-N'-[3-(dimethylamino)benzoyl]triazole-4-carbohydrazide has a molecular weight of 364.41 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-[3-(dimethylamino)benzoyl]triazole-4-carbohydrazide is sourced from PubChem (CID 25333094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).