N-(5-acetamido-2-ethylphenyl)-2H-triazole-4-carboxamide

C13H15N5O2 — CID 110475529

IUPACN-(5-acetamido-2-ethylphenyl)-2H-triazole-4-carboxamide
SMILESCCc1ccc(NC(C)=O)cc1NC(=O)c1cn[nH]n1
InChIInChI=1S/C13H15N5O2/c1-3-9-4-5-10(15-8(2)19)6-11(9)16-13(20)12-7-14-18-17-12/h4-7H,3H2,1-2H3,(H,15,19)(H,16,20)(H,14,17,18)
InChIKeyLKXDMAQJFZWUAF-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.58
Rot. Bonds4

About N-(5-acetamido-2-ethylphenyl)-2H-triazole-4-carboxamide

N-(5-acetamido-2-ethylphenyl)-2H-triazole-4-carboxamide (PubChem CID 110475529) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-(5-acetamido-2-ethylphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-ethylphenyl)-2H-triazole-4-carboxamide
PubChem CID110475529
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-(5-acetamido-2-ethylphenyl)-2H-triazole-4-carboxamide
SMILESCCc1ccc(NC(C)=O)cc1NC(=O)c1cn[nH]n1
InChIInChI=1S/C13H15N5O2/c1-3-9-4-5-10(15-8(2)19)6-11(9)16-13(20)12-7-14-18-17-12/h4-7H,3H2,1-2H3,(H,15,19)(H,16,20)(H,14,17,18)
InChIKeyLKXDMAQJFZWUAF-UHFFFAOYSA-N
XLogP1.58
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetamido-2-(2H-triazole-4-carbonylamino)benzoic acid
CID 63283056
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CID 112729777
N-(4-bromo-2-ethylphenyl)-2H-triazole-4-carboxamide
CID 81003417
N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide
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N-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide
CID 110475458
N-(5-acetamido-2-ethylphenyl)-2-methylpropanamide
CID 110459878
N-(5-acetamido-2-ethylphenyl)-2-aminoacetamide
CID 39185204
N-[3-(2-acetamidoanilino)-4-ethylphenyl]acetamide
CID 163304121
N-(5-acetamido-2-ethylphenyl)-2,4-difluorobenzamide
CID 108797375
N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide
CID 47338316
N-(5-acetamido-2-ethylphenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796605
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CID 47367376

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-ethylphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(5-acetamido-2-ethylphenyl)-2H-triazole-4-carboxamide (CID 110475529) is N-(5-acetamido-2-ethylphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-ethylphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(5-acetamido-2-ethylphenyl)-2H-triazole-4-carboxamide is CCc1ccc(NC(C)=O)cc1NC(=O)c1cn[nH]n1.
What is the InChIKey of N-(5-acetamido-2-ethylphenyl)-2H-triazole-4-carboxamide?
The InChIKey is LKXDMAQJFZWUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-3-9-4-5-10(15-8(2)19)6-11(9)16-13(20)12-7-14-18-17-12/h4-7H,3H2,1-2H3,(H,15,19)(H,16,20)(H,14,17,18).
What are the key properties of N-(5-acetamido-2-ethylphenyl)-2H-triazole-4-carboxamide?
N-(5-acetamido-2-ethylphenyl)-2H-triazole-4-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-ethylphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 110475529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).