N-[(2-cyanophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide

C13H13N5O — CID 47355649

IUPACN-[(2-cyanophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide
SMILESCCN(Cc1ccccc1C#N)C(=O)c1cn[nH]n1
InChIInChI=1S/C13H13N5O/c1-2-18(13(19)12-8-15-17-16-12)9-11-6-4-3-5-10(11)7-14/h3-6,8H,2,9H2,1H3,(H,15,16,17)
InChIKeyGIHHNUGTLQQQGQ-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.34
Rot. Bonds4

About N-[(2-cyanophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide

N-[(2-cyanophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide (PubChem CID 47355649) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[(2-cyanophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-cyanophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide
PubChem CID47355649
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC NameN-[(2-cyanophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide
SMILESCCN(Cc1ccccc1C#N)C(=O)c1cn[nH]n1
InChIInChI=1S/C13H13N5O/c1-2-18(13(19)12-8-15-17-16-12)9-11-6-4-3-5-10(11)7-14/h3-6,8H,2,9H2,1H3,(H,15,16,17)
InChIKeyGIHHNUGTLQQQGQ-UHFFFAOYSA-N
XLogP1.34
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide
CID 60962959
ethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate
CID 61355544
2-chloro-N-[(2-cyanophenyl)methyl]-N-ethylpropanamide
CID 54875994
N-ethyl-N-[(3-fluorophenyl)methyl]-2H-triazole-4-carboxamide
CID 47335109
2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60693832
N-[(3,4-difluorophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide
CID 112733333
N-[(2-cyanophenyl)methyl]-N-ethyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655924
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2H-triazole-4-carboxamide
CID 47335003
N-[(2-cyanophenyl)methyl]-N-ethyl-2-(prop-2-ynylamino)acetamide
CID 79287312
(2S)-N-[(2-cyanophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 104913445
3-[ethyl(2H-triazole-4-carbonyl)amino]propanoic acid
CID 63283146
4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide
CID 60963774

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyanophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide?
The IUPAC name of N-[(2-cyanophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide (CID 47355649) is N-[(2-cyanophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[(2-cyanophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-[(2-cyanophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide is CCN(Cc1ccccc1C#N)C(=O)c1cn[nH]n1.
What is the InChIKey of N-[(2-cyanophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide?
The InChIKey is GIHHNUGTLQQQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-2-18(13(19)12-8-15-17-16-12)9-11-6-4-3-5-10(11)7-14/h3-6,8H,2,9H2,1H3,(H,15,16,17).
What are the key properties of N-[(2-cyanophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide?
N-[(2-cyanophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyanophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 47355649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).