N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide

C14H17N5O2 — CID 35052567

IUPACN-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide
SMILESCC(=O)NCCNC(=O)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C14H17N5O2/c1-11(20)15-7-8-16-14(21)13-10-19(18-17-13)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,15,20)(H,16,21)
InChIKeyFNLGYIKREIZFNU-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.19
Rot. Bonds6

About N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide

N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide (PubChem CID 35052567) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide
PubChem CID35052567
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide
SMILESCC(=O)NCCNC(=O)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C14H17N5O2/c1-11(20)15-7-8-16-14(21)13-10-19(18-17-13)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,15,20)(H,16,21)
InChIKeyFNLGYIKREIZFNU-UHFFFAOYSA-N
XLogP0.19
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]triazole-4-carboxamide
CID 24633183
N-(2-acetamidoethyl)-1-methyltriazole-4-carboxamide
CID 110691590
1-benzyltriazole-4-carbonyl chloride
CID 87720228
1-benzyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]triazole-4-carboxamide
CID 134046082
1-benzyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)triazole-4-carboxamide
CID 37089479
1-benzyl-N-[(3-carbamoylphenyl)methyl]triazole-4-carboxamide
CID 32637465
1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide
CID 18146607
N-(1-amino-4-methylpentan-2-yl)-1-benzyltriazole-4-carboxamide;hydrochloride
CID 119587268
N-[2-(ethylamino)ethyl]-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119506466
N-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 3231000
2-oxopropyl 1-benzyltriazole-4-carboxylate
CID 55640927
1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide
CID 36706465

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide (CID 35052567) is N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide is CC(=O)NCCNC(=O)c1cn(Cc2ccccc2)nn1.
What is the InChIKey of N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide?
The InChIKey is FNLGYIKREIZFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-11(20)15-7-8-16-14(21)13-10-19(18-17-13)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,15,20)(H,16,21).
What are the key properties of N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide?
N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide is sourced from PubChem (CID 35052567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).