2-(4-formyltriazol-1-yl)-N-(3-methoxyphenyl)acetamide

C12H12N4O3 — CID 66214781

IUPAC2-(4-formyltriazol-1-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cc(C=O)nn2)c1
InChIInChI=1S/C12H12N4O3/c1-19-11-4-2-3-9(5-11)13-12(18)7-16-6-10(8-17)14-15-16/h2-6,8H,7H2,1H3,(H,13,18)
InChIKeySMTGEUWPUNQBKG-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.74
Rot. Bonds5

About 2-(4-formyltriazol-1-yl)-N-(3-methoxyphenyl)acetamide

2-(4-formyltriazol-1-yl)-N-(3-methoxyphenyl)acetamide (PubChem CID 66214781) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-(4-formyltriazol-1-yl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-formyltriazol-1-yl)-N-(3-methoxyphenyl)acetamide
PubChem CID66214781
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name2-(4-formyltriazol-1-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cc(C=O)nn2)c1
InChIInChI=1S/C12H12N4O3/c1-19-11-4-2-3-9(5-11)13-12(18)7-16-6-10(8-17)14-15-16/h2-6,8H,7H2,1H3,(H,13,18)
InChIKeySMTGEUWPUNQBKG-UHFFFAOYSA-N
XLogP0.74
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromophenyl)-2-(4-formyltriazol-1-yl)acetamide
CID 66216003
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 60911842
2-(2-formylimidazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 62223154
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 21383169
2-(2-formylpiperidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 62654790
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
N-ethyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 43401692
cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate)
CID 6100941
N-carbamoyl-2-(4-formyltriazol-1-yl)acetamide
CID 66214589
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 7660799

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyltriazol-1-yl)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-formyltriazol-1-yl)-N-(3-methoxyphenyl)acetamide (CID 66214781) is 2-(4-formyltriazol-1-yl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-formyltriazol-1-yl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-formyltriazol-1-yl)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cn2cc(C=O)nn2)c1.
What is the InChIKey of 2-(4-formyltriazol-1-yl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is SMTGEUWPUNQBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-19-11-4-2-3-9(5-11)13-12(18)7-16-6-10(8-17)14-15-16/h2-6,8H,7H2,1H3,(H,13,18).
What are the key properties of 2-(4-formyltriazol-1-yl)-N-(3-methoxyphenyl)acetamide?
2-(4-formyltriazol-1-yl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 260.25 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyltriazol-1-yl)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 66214781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).