N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(3-hydroxyphenyl)acetamide

C14H18N4O2 — CID 91770168

IUPACN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(3-hydroxyphenyl)acetamide
SMILESCCn1ncnc1C(C)NC(=O)Cc1cccc(O)c1
InChIInChI=1S/C14H18N4O2/c1-3-18-14(15-9-16-18)10(2)17-13(20)8-11-5-4-6-12(19)7-11/h4-7,9-10,19H,3,8H2,1-2H3,(H,17,20)
InChIKeyIWJIPIBJVVVWTI-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.42
Rot. Bonds5

About N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(3-hydroxyphenyl)acetamide

N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(3-hydroxyphenyl)acetamide (PubChem CID 91770168) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(3-hydroxyphenyl)acetamide
PubChem CID91770168
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(3-hydroxyphenyl)acetamide
SMILESCCn1ncnc1C(C)NC(=O)Cc1cccc(O)c1
InChIInChI=1S/C14H18N4O2/c1-3-18-14(15-9-16-18)10(2)17-13(20)8-11-5-4-6-12(19)7-11/h4-7,9-10,19H,3,8H2,1-2H3,(H,17,20)
InChIKeyIWJIPIBJVVVWTI-UHFFFAOYSA-N
XLogP1.42
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]-4-oxobutanoic acid
CID 125437669
N-(1-chlorobutan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 114294400
2-(3-hydroxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 62727102
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91784996
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 70759937
N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 91781933
1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea
CID 125435125
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-yl-1,2-oxazole-5-carboxamide
CID 138383795
2-(3-hydroxyphenyl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide
CID 99817638
N-(1-ethoxy-3-methylbutan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 103280835
N-ethoxy-2-(3-hydroxyphenyl)acetamide
CID 62039263
1-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea
CID 97434949

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(3-hydroxyphenyl)acetamide (CID 91770168) is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(3-hydroxyphenyl)acetamide is CCn1ncnc1C(C)NC(=O)Cc1cccc(O)c1.
What is the InChIKey of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(3-hydroxyphenyl)acetamide?
The InChIKey is IWJIPIBJVVVWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-18-14(15-9-16-18)10(2)17-13(20)8-11-5-4-6-12(19)7-11/h4-7,9-10,19H,3,8H2,1-2H3,(H,17,20).
What are the key properties of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(3-hydroxyphenyl)acetamide?
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 91770168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).