2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide

C13H16ClN5O2 — CID 116642136

IUPAC2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(CCN)nn2)cc1Cl
InChIInChI=1S/C13H16ClN5O2/c1-21-12-3-2-9(6-11(12)14)16-13(20)8-19-7-10(4-5-15)17-18-19/h2-3,6-7H,4-5,8,15H2,1H3,(H,16,20)
InChIKeyUOFBTVWLANKUHU-UHFFFAOYSA-N
MW309.76 g/mol
LogP1.08
Rot. Bonds6

About 2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide

2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide (PubChem CID 116642136) has the molecular formula C13H16ClN5O2 and a molecular weight of 309.76 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
PubChem CID116642136
Molecular FormulaC13H16ClN5O2
Molecular Weight309.76 g/mol
Exact Mass309.10
IUPAC Name2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(CCN)nn2)cc1Cl
InChIInChI=1S/C13H16ClN5O2/c1-21-12-3-2-9(6-11(12)14)16-13(20)8-19-7-10(4-5-15)17-18-19/h2-3,6-7H,4-5,8,15H2,1H3,(H,16,20)
InChIKeyUOFBTVWLANKUHU-UHFFFAOYSA-N
XLogP1.08
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 112521508
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 116642311
N-[1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112521514
2-[4-(2-aminoethyl)triazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 116642022
2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 116642196
2-(5-amino-2-oxo-1-pyridinyl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 62814950
ethyl 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate
CID 122241516
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 4571026
2-[4-(aminomethyl)triazol-1-yl]-N-(5-bromo-2-methoxyphenyl)acetamide
CID 115459682
N-(3-chloro-4-methylphenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
CID 66194085
1-[2-(3-fluoro-4-methoxyanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 66289937
2-(5-tert-butyltetrazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 60548379

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide (CID 116642136) is 2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2cc(CCN)nn2)cc1Cl.
What is the InChIKey of 2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide?
The InChIKey is UOFBTVWLANKUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O2/c1-21-12-3-2-9(6-11(12)14)16-13(20)8-19-7-10(4-5-15)17-18-19/h2-3,6-7H,4-5,8,15H2,1H3,(H,16,20).
What are the key properties of 2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide?
2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide has a molecular weight of 309.76 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 116642136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).