2-phenoxy-N-(1H-1,2,4-triazol-5-yl)acetamide

C10H10N4O2 — CID 555301

IUPAC2-phenoxy-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(COc1ccccc1)Nc1ncn[nH]1
InChIInChI=1S/C10H10N4O2/c15-9(13-10-11-7-12-14-10)6-16-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,12,13,14,15)
InChIKeyRDQSHWYUPMQDEX-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.82
Rot. Bonds4

About 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)acetamide

2-phenoxy-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 555301) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-phenoxy-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID555301
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-phenoxy-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(COc1ccccc1)Nc1ncn[nH]1
InChIInChI=1S/C10H10N4O2/c15-9(13-10-11-7-12-14-10)6-16-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,12,13,14,15)
InChIKeyRDQSHWYUPMQDEX-UHFFFAOYSA-N
XLogP0.82
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 704205
Acetamide, 2-(2,4-dichlorophenoxy)-N-(s-triazol-3-yl)-
CID 99363
2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 720861
2-(2,6-dimethylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 650512
2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 698942
2-(2-Tert-butylphenoxy)-N-(4H-1,2,4-triazol-3-YL)acetamide
CID 719144
2-phenoxy-N-(1H-tetrazol-5-yl)acetamide
CID 874260
4-(4-methoxyphenoxy)-N-4H-1,2,4-triazol-3-ylbutanamide
CID 1568913
2-(2-bromo-4-ethylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 7375770
2-(2,3-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 674929
2-(2-bromo-4-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 719106
2-(4-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 2953838

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 555301) is 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(COc1ccccc1)Nc1ncn[nH]1.
What is the InChIKey of 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is RDQSHWYUPMQDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c15-9(13-10-11-7-12-14-10)6-16-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,12,13,14,15).
What are the key properties of 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-phenoxy-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 218.22 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 555301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).