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

C14H19N5O2 — CID 61115006

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]acetamide
SMILESCCN(C(=O)Cn1cnc(N)n1)C(C)c1cccc(O)c1
InChIInChI=1S/C14H19N5O2/c1-3-19(10(2)11-5-4-6-12(20)7-11)13(21)8-18-9-16-14(15)17-18/h4-7,9-10,20H,3,8H2,1-2H3,(H2,15,17)
InChIKeyIHLZFPPKFWOQAX-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.18
Rot. Bonds5

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

2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]acetamide (PubChem CID 61115006) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]acetamide
PubChem CID61115006
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]acetamide
SMILESCCN(C(=O)Cn1cnc(N)n1)C(C)c1cccc(O)c1
InChIInChI=1S/C14H19N5O2/c1-3-19(10(2)11-5-4-6-12(20)7-11)13(21)8-18-9-16-14(15)17-18/h4-7,9-10,20H,3,8H2,1-2H3,(H2,15,17)
InChIKeyIHLZFPPKFWOQAX-UHFFFAOYSA-N
XLogP1.18
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]acetamide (CID 61115006) is 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]acetamide is CCN(C(=O)Cn1cnc(N)n1)C(C)c1cccc(O)c1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]acetamide?
The InChIKey is IHLZFPPKFWOQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-19(10(2)11-5-4-6-12(20)7-11)13(21)8-18-9-16-14(15)17-18/h4-7,9-10,20H,3,8H2,1-2H3,(H2,15,17).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]acetamide has a molecular weight of 289.34 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]acetamide is sourced from PubChem (CID 61115006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).