1-benzyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)triazole-4-carboxamide

C19H18N4O2 — CID 111658731

IUPAC1-benzyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)triazole-4-carboxamide
SMILESO=C(NC1c2ccccc2CC1O)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C19H18N4O2/c24-17-10-14-8-4-5-9-15(14)18(17)20-19(25)16-12-23(22-21-16)11-13-6-2-1-3-7-13/h1-9,12,17-18,24H,10-11H2,(H,20,25)
InChIKeyJGVSFDFJLBNXBL-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.71
Rot. Bonds4

About 1-benzyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)triazole-4-carboxamide

1-benzyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)triazole-4-carboxamide (PubChem CID 111658731) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-benzyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)triazole-4-carboxamide
PubChem CID111658731
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name1-benzyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)triazole-4-carboxamide
SMILESO=C(NC1c2ccccc2CC1O)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C19H18N4O2/c24-17-10-14-8-4-5-9-15(14)18(17)20-19(25)16-12-23(22-21-16)11-13-6-2-1-3-7-13/h1-9,12,17-18,24H,10-11H2,(H,20,25)
InChIKeyJGVSFDFJLBNXBL-UHFFFAOYSA-N
XLogP1.71
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide
CID 36706465
1-benzyltriazole-4-carbonyl chloride
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(1S,2S,3S,4S)-3-[(1-benzyltriazole-4-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98233009
1-benzyl-N-(2-tert-butylcyclohexyl)triazole-4-carboxamide
CID 43060445
N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide
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5-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 107211881
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide
CID 65216329
6-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 103816930
1-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]triazole-4-carboxamide
CID 31868782
5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide
CID 107258059
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-3-carboxamide
CID 103862965
1-benzyl-N-[(2S,4R,5R)-7-methyl-6-oxo-7,9,12-triazatricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-5-yl]triazole-4-carboxamide
CID 130314162

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)triazole-4-carboxamide (CID 111658731) is 1-benzyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)triazole-4-carboxamide is O=C(NC1c2ccccc2CC1O)c1cn(Cc2ccccc2)nn1.
What is the InChIKey of 1-benzyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)triazole-4-carboxamide?
The InChIKey is JGVSFDFJLBNXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-17-10-14-8-4-5-9-15(14)18(17)20-19(25)16-12-23(22-21-16)11-13-6-2-1-3-7-13/h1-9,12,17-18,24H,10-11H2,(H,20,25).
What are the key properties of 1-benzyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)triazole-4-carboxamide?
1-benzyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)triazole-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)triazole-4-carboxamide is sourced from PubChem (CID 111658731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).