2-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide

C13H17N5O — CID 62181122

IUPAC2-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCCNc1ccccc1C(=O)NCc1nncn1C
InChIInChI=1S/C13H17N5O/c1-3-14-11-7-5-4-6-10(11)13(19)15-8-12-17-16-9-18(12)2/h4-7,9,14H,3,8H2,1-2H3,(H,15,19)
InChIKeyZYYDLTDMRYIXOX-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.18
Rot. Bonds5

About 2-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide

2-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 62181122) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID62181122
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCCNc1ccccc1C(=O)NCc1nncn1C
InChIInChI=1S/C13H17N5O/c1-3-14-11-7-5-4-6-10(11)13(19)15-8-12-17-16-9-18(12)2/h4-7,9,14H,3,8H2,1-2H3,(H,15,19)
InChIKeyZYYDLTDMRYIXOX-UHFFFAOYSA-N
XLogP1.18
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylamino)-6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 81243046
6-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridazine-3-carboxamide
CID 62180418
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(propylamino)benzamide
CID 106303592
4-(ethylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
CID 81241199
4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 62179357
2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 106993375
2-bromo-5-iodo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 103994456
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide
CID 106049267
2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-nitrobenzamide
CID 115931067
2-(ethylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167465
2-fluoro-6-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 104916778
2-(ethylamino)-N-(2-phenylpropyl)benzamide
CID 63107799

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 2-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide (CID 62181122) is 2-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide is CCNc1ccccc1C(=O)NCc1nncn1C.
What is the InChIKey of 2-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is ZYYDLTDMRYIXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-14-11-7-5-4-6-10(11)13(19)15-8-12-17-16-9-18(12)2/h4-7,9,14H,3,8H2,1-2H3,(H,15,19).
What are the key properties of 2-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
2-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 259.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 62181122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).