3-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide

C13H16N4O2 — CID 64531621

IUPAC3-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESO=C(CCc1ccccc1O)NCCc1ncn[nH]1
InChIInChI=1S/C13H16N4O2/c18-11-4-2-1-3-10(11)5-6-13(19)14-8-7-12-15-9-16-17-12/h1-4,9,18H,5-8H2,(H,14,19)(H,15,16,17)
InChIKeyGYUOFAJKWLKKAW-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.80
Rot. Bonds6

About 3-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide

3-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide (PubChem CID 64531621) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
PubChem CID64531621
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESO=C(CCc1ccccc1O)NCCc1ncn[nH]1
InChIInChI=1S/C13H16N4O2/c18-11-4-2-1-3-10(11)5-6-13(19)14-8-7-12-15-9-16-17-12/h1-4,9,18H,5-8H2,(H,14,19)(H,15,16,17)
InChIKeyGYUOFAJKWLKKAW-UHFFFAOYSA-N
XLogP0.80
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545677
4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 64546403
2-(2-methoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545846
2-[2-(aminomethyl)phenoxy]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64517211
3-(2-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141809
3-methylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64548213
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide
CID 65426736
3-(2-hydroxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64510727
3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60983559
2-[methyl(pyrimidin-2-yl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64530410
2-(3,4-dichlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64546984
2-fluoro-6-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 104919903

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide (CID 64531621) is 3-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide is O=C(CCc1ccccc1O)NCCc1ncn[nH]1.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The InChIKey is GYUOFAJKWLKKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-11-4-2-1-3-10(11)5-6-13(19)14-8-7-12-15-9-16-17-12/h1-4,9,18H,5-8H2,(H,14,19)(H,15,16,17).
What are the key properties of 3-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
3-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide has a molecular weight of 260.30 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 64531621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).