N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)triazole-4-carboxamide

C16H23N5O — CID 86985554

IUPACN-[2-(diethylamino)ethyl]-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cn(-c2ccc(C)cc2)nn1
InChIInChI=1S/C16H23N5O/c1-4-20(5-2)11-10-17-16(22)15-12-21(19-18-15)14-8-6-13(3)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,22)
InChIKeyDGGFAHZBTMHKSX-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.65
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)triazole-4-carboxamide

N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 86985554) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID86985554
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[2-(diethylamino)ethyl]-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cn(-c2ccc(C)cc2)nn1
InChIInChI=1S/C16H23N5O/c1-4-20(5-2)11-10-17-16(22)15-12-21(19-18-15)14-8-6-13(3)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,22)
InChIKeyDGGFAHZBTMHKSX-UHFFFAOYSA-N
XLogP1.65
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-N-pentyltriazole-4-carboxamide
CID 20973744
N-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride
CID 119405590
1-(4-methylphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]triazole-4-carboxamide
CID 86991560
1-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 119445625
1-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)triazole-4-carboxamide
CID 86985740
1-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]triazole-4-carboxamide
CID 86991612
N-(2-methylbutan-2-yl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 39394633
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 38957071
1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]triazole-4-carboxamide
CID 39040917
N-[2-(dimethylamino)ethyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
CID 53332712
N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide
CID 143916034
1-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 86830436

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)triazole-4-carboxamide (CID 86985554) is N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)triazole-4-carboxamide is CCN(CC)CCNC(=O)c1cn(-c2ccc(C)cc2)nn1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is DGGFAHZBTMHKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-4-20(5-2)11-10-17-16(22)15-12-21(19-18-15)14-8-6-13(3)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,22).
What are the key properties of N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)triazole-4-carboxamide?
N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 86985554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).