N-[2-(4-tert-butylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide

C15H20N4O2 — CID 586912

IUPACN-[2-(4-tert-butylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)c2ncn[nH]2)cc1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)11-4-6-12(7-5-11)21-9-8-16-14(20)13-17-10-18-19-13/h4-7,10H,8-9H2,1-3H3,(H,16,20)(H,17,18,19)
InChIKeyBSBGPAHWSKBVNF-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.91
Rot. Bonds5

About N-[2-(4-tert-butylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide

N-[2-(4-tert-butylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 586912) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID586912
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)c2ncn[nH]2)cc1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)11-4-6-12(7-5-11)21-9-8-16-14(20)13-17-10-18-19-13/h4-7,10H,8-9H2,1-3H3,(H,16,20)(H,17,18,19)
InChIKeyBSBGPAHWSKBVNF-UHFFFAOYSA-N
XLogP1.91
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenoxyethyl)-1H-1,2,4-triazole-3-carboxamide
CID 2229845
N-(3-bromo-4-(2-(pyrrolidin-1-yl)ethoxy)phenethyl)-4H-1,2,4-triazole-3-carboxamide
CID 44548786
N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 586998
N-(4-Methoxybenzyl)-1H-1,2,4-triazole-3-carboxamide
CID 585908
N-[2-(3-ethyl-5-methylphenoxy)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 2228802
N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 51077253
1-Methyl-1-[2-(4-methylphenoxy)ethyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53499491
N-[(4-tert-butylphenoxy)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 3551068
N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 66635132
2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 698947
N-[2-(4-butoxyphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 2200166
1-[(2-Tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[2-(4-cyanophenoxy)ethyl]urea
CID 121525862

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide (CID 586912) is N-[2-(4-tert-butylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide is CC(C)(C)c1ccc(OCCNC(=O)c2ncn[nH]2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is BSBGPAHWSKBVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(2,3)11-4-6-12(7-5-11)21-9-8-16-14(20)13-17-10-18-19-13/h4-7,10H,8-9H2,1-3H3,(H,16,20)(H,17,18,19).
What are the key properties of N-[2-(4-tert-butylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide?
N-[2-(4-tert-butylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 586912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).