2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-propan-2-ylphenyl)acetamide

C15H21N5O — CID 116642196

IUPAC2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)Cn2cc(CCN)nn2)c1
InChIInChI=1S/C15H21N5O/c1-11(2)12-4-3-5-13(8-12)17-15(21)10-20-9-14(6-7-16)18-19-20/h3-5,8-9,11H,6-7,10,16H2,1-2H3,(H,17,21)
InChIKeyVFIVCJKATJHYDU-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.54
Rot. Bonds6

About 2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-propan-2-ylphenyl)acetamide

2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 116642196) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-propan-2-ylphenyl)acetamide
PubChem CID116642196
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)Cn2cc(CCN)nn2)c1
InChIInChI=1S/C15H21N5O/c1-11(2)12-4-3-5-13(8-12)17-15(21)10-20-9-14(6-7-16)18-19-20/h3-5,8-9,11H,6-7,10,16H2,1-2H3,(H,17,21)
InChIKeyVFIVCJKATJHYDU-UHFFFAOYSA-N
XLogP1.54
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-aminoethyl)triazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 116642022
2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 116642136
2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 116642275
2-[4-(2-aminoethyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 116641828
2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 115459911
2-[4-(2-aminoethyl)triazol-1-yl]-N-tert-butylacetamide
CID 116642329
2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide
CID 114419901
2-[4-(4-aminobutyl)triazol-1-yl]-N-propan-2-ylacetamide
CID 106209238
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 116642027
2-[4-(aminomethyl)triazol-1-yl]-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 115459468
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 116642311
2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 116642158

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-propan-2-ylphenyl)acetamide (CID 116642196) is 2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-propan-2-ylphenyl)acetamide is CC(C)c1cccc(NC(=O)Cn2cc(CCN)nn2)c1.
What is the InChIKey of 2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is VFIVCJKATJHYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11(2)12-4-3-5-13(8-12)17-15(21)10-20-9-14(6-7-16)18-19-20/h3-5,8-9,11H,6-7,10,16H2,1-2H3,(H,17,21).
What are the key properties of 2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-propan-2-ylphenyl)acetamide?
2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 287.37 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 116642196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).