2-[2-(aminomethyl)phenoxy]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

C13H17N5O2 — CID 64517211

IUPAC2-[2-(aminomethyl)phenoxy]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESNCc1ccccc1OCC(=O)NCCc1ncn[nH]1
InChIInChI=1S/C13H17N5O2/c14-7-10-3-1-2-4-11(10)20-8-13(19)15-6-5-12-16-9-17-18-12/h1-4,9H,5-8,14H2,(H,15,19)(H,16,17,18)
InChIKeyQZFAFGQZUMNHOJ-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.00
Rot. Bonds7

About 2-[2-(aminomethyl)phenoxy]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

2-[2-(aminomethyl)phenoxy]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 64517211) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID64517211
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-[2-(aminomethyl)phenoxy]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESNCc1ccccc1OCC(=O)NCCc1ncn[nH]1
InChIInChI=1S/C13H17N5O2/c14-7-10-3-1-2-4-11(10)20-8-13(19)15-6-5-12-16-9-17-18-12/h1-4,9H,5-8,14H2,(H,15,19)(H,16,17,18)
InChIKeyQZFAFGQZUMNHOJ-UHFFFAOYSA-N
XLogP0.00
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545846
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545677
2-(2-methoxyphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64547664
3-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64531621
2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 16788914
2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide
CID 64532139
2-[2-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 54982506
2-(2-ethoxyphenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 60983446
2-(3,4-dimethylphenoxy)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64548351
4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 64546403
3-amino-2-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106112977
2-amino-6-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 81420398

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 64517211) is 2-[2-(aminomethyl)phenoxy]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is NCc1ccccc1OCC(=O)NCCc1ncn[nH]1.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is QZFAFGQZUMNHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c14-7-10-3-1-2-4-11(10)20-8-13(19)15-6-5-12-16-9-17-18-12/h1-4,9H,5-8,14H2,(H,15,19)(H,16,17,18).
What are the key properties of 2-[2-(aminomethyl)phenoxy]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2-[2-(aminomethyl)phenoxy]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 275.31 g/mol, XLogP of 0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 64517211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).