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

C13H17N5O2 — CID 116642054

IUPAC2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1cc(CCN)nn1
InChIInChI=1S/C13H17N5O2/c1-20-12-5-3-2-4-11(12)15-13(19)9-18-8-10(6-7-14)16-17-18/h2-5,8H,6-7,9,14H2,1H3,(H,15,19)
InChIKeyKMTZYTIZOWYQTM-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.43
Rot. Bonds6

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

2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 116642054) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID116642054
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1cc(CCN)nn1
InChIInChI=1S/C13H17N5O2/c1-20-12-5-3-2-4-11(12)15-13(19)9-18-8-10(6-7-14)16-17-18/h2-5,8H,6-7,9,14H2,1H3,(H,15,19)
InChIKeyKMTZYTIZOWYQTM-UHFFFAOYSA-N
XLogP0.43
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 116642311
2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 116642136
2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 106227595
2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 106221500
2-[4-(aminomethyl)triazol-1-yl]-N-(5-bromo-2-methoxyphenyl)acetamide
CID 115459682
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 116642027
N-(2-methoxyphenyl)-3-[4-(methylaminomethyl)triazol-1-yl]propanamide
CID 66192499
2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 116642158
2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 112522674
2-[4-(2-aminoethyl)triazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 116642022
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(ethoxymethyl)phenyl]acetamide
CID 115459058
2-[4-(2-aminoethyl)triazol-1-yl]-N-tert-butylacetamide
CID 116642329

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide (CID 116642054) is 2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)Cn1cc(CCN)nn1.
What is the InChIKey of 2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is KMTZYTIZOWYQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-20-12-5-3-2-4-11(12)15-13(19)9-18-8-10(6-7-14)16-17-18/h2-5,8H,6-7,9,14H2,1H3,(H,15,19).
What are the key properties of 2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide?
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 275.31 g/mol, XLogP of 0.43, 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-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 116642054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).