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

C12H14N4O — CID 64545677

IUPAC2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESO=C(Cc1ccccc1)NCCc1ncn[nH]1
InChIInChI=1S/C12H14N4O/c17-12(8-10-4-2-1-3-5-10)13-7-6-11-14-9-15-16-11/h1-5,9H,6-8H2,(H,13,17)(H,14,15,16)
InChIKeyMIRCRJXEYHVGJW-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.71
Rot. Bonds5

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

2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 64545677) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID64545677
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESO=C(Cc1ccccc1)NCCc1ncn[nH]1
InChIInChI=1S/C12H14N4O/c17-12(8-10-4-2-1-3-5-10)13-7-6-11-14-9-15-16-11/h1-5,9H,6-8H2,(H,13,17)(H,14,15,16)
InChIKeyMIRCRJXEYHVGJW-UHFFFAOYSA-N
XLogP0.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64546984
3-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64531621
2-(2-methoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545846
4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 64546403
2-(4-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64548489
2-[2-(aminomethyl)phenoxy]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64517211
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 64546169
3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 30864454
2-(2-chloro-6-fluorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64548180
2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide
CID 64532139
2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103769288
2-(2-phenyl-1,3-thiazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 122141831

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 64545677) is 2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is O=C(Cc1ccccc1)NCCc1ncn[nH]1.
What is the InChIKey of 2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is MIRCRJXEYHVGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c17-12(8-10-4-2-1-3-5-10)13-7-6-11-14-9-15-16-11/h1-5,9H,6-8H2,(H,13,17)(H,14,15,16).
What are the key properties of 2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 230.27 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 64545677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).