N-benzyl-N-ethyl-2-methyltriazole-4-carboxamide

C13H16N4O — CID 110691383

IUPACN-benzyl-N-ethyl-2-methyltriazole-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnn(C)n1
InChIInChI=1S/C13H16N4O/c1-3-17(10-11-7-5-4-6-8-11)13(18)12-9-14-16(2)15-12/h4-9H,3,10H2,1-2H3
InChIKeyOKVQPDMKLSMFQE-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.48
Rot. Bonds4

About N-benzyl-N-ethyl-2-methyltriazole-4-carboxamide

N-benzyl-N-ethyl-2-methyltriazole-4-carboxamide (PubChem CID 110691383) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-methyltriazole-4-carboxamide
PubChem CID110691383
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-benzyl-N-ethyl-2-methyltriazole-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnn(C)n1
InChIInChI=1S/C13H16N4O/c1-3-17(10-11-7-5-4-6-8-11)13(18)12-9-14-16(2)15-12/h4-9H,3,10H2,1-2H3
InChIKeyOKVQPDMKLSMFQE-UHFFFAOYSA-N
XLogP1.48
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[(4-ethylphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
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N,N'-dibenzyl-N,N'-diethyloxamide
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N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide
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5-amino-N-benzyl-1-tert-butyl-N-ethylpyrazole-3-carboxamide
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N-benzyl-N-(2-methoxyethyl)-2-phenyltriazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-methyltriazole-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-2-methyltriazole-4-carboxamide (CID 110691383) is N-benzyl-N-ethyl-2-methyltriazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-methyltriazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-2-methyltriazole-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1cnn(C)n1.
What is the InChIKey of N-benzyl-N-ethyl-2-methyltriazole-4-carboxamide?
The InChIKey is OKVQPDMKLSMFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-17(10-11-7-5-4-6-8-11)13(18)12-9-14-16(2)15-12/h4-9H,3,10H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-methyltriazole-4-carboxamide?
N-benzyl-N-ethyl-2-methyltriazole-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-methyltriazole-4-carboxamide is sourced from PubChem (CID 110691383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).