N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide

C11H12N4O2 — CID 646463

IUPACN-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccccc1-c1nc(NC(C)=O)n[nH]1
InChIInChI=1S/C11H12N4O2/c1-7(16)12-11-13-10(14-15-11)8-5-3-4-6-9(8)17-2/h3-6H,1-2H3,(H2,12,13,14,15,16)
InChIKeyDQTCUSYYXMWFGW-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.44
Rot. Bonds3

About N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide

N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 646463) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID646463
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccccc1-c1nc(NC(C)=O)n[nH]1
InChIInChI=1S/C11H12N4O2/c1-7(16)12-11-13-10(14-15-11)8-5-3-4-6-9(8)17-2/h3-6H,1-2H3,(H2,12,13,14,15,16)
InChIKeyDQTCUSYYXMWFGW-UHFFFAOYSA-N
XLogP1.44
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-amine
CID 605283
5-(4-Methoxyphenyl)-4H-1,2,4-triazol-3-amine
CID 781002
3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-5-amine
CID 686443
5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 3239895
3-(3-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole
CID 61343280
3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole
CID 155818568
1-acetyl-3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine
CID 753273
1-butyryl-3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine
CID 753275
2-(2-methylphenoxy)-N-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
CID 17408222
2-(4-methoxyphenyl)-N-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
CID 17427517
(R)-N-(3-phenyl-1H-1,2,4-triazol-5-yl)-2-(m-tolyloxy)propanamide
CID 25573285
(2R)-2-(2-fluorophenoxy)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide
CID 32178888

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide (CID 646463) is N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide is COc1ccccc1-c1nc(NC(C)=O)n[nH]1.
What is the InChIKey of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is DQTCUSYYXMWFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7(16)12-11-13-10(14-15-11)8-5-3-4-6-9(8)17-2/h3-6H,1-2H3,(H2,12,13,14,15,16).
What are the key properties of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide?
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 232.24 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 646463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).