N-[3-[5-(2-aminoethyl)triazol-1-yl]phenyl]acetamide

C12H15N5O — CID 82199375

IUPACN-[3-[5-(2-aminoethyl)triazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nncc2CCN)c1
InChIInChI=1S/C12H15N5O/c1-9(18)15-10-3-2-4-11(7-10)17-12(5-6-13)8-14-16-17/h2-4,7-8H,5-6,13H2,1H3,(H,15,18)
InChIKeyQDFXHLTXZSLLBH-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.73
Rot. Bonds4

About N-[3-[5-(2-aminoethyl)triazol-1-yl]phenyl]acetamide

N-[3-[5-(2-aminoethyl)triazol-1-yl]phenyl]acetamide (PubChem CID 82199375) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[3-[5-(2-aminoethyl)triazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-(2-aminoethyl)triazol-1-yl]phenyl]acetamide
PubChem CID82199375
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[3-[5-(2-aminoethyl)triazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nncc2CCN)c1
InChIInChI=1S/C12H15N5O/c1-9(18)15-10-3-2-4-11(7-10)17-12(5-6-13)8-14-16-17/h2-4,7-8H,5-6,13H2,1H3,(H,15,18)
InChIKeyQDFXHLTXZSLLBH-UHFFFAOYSA-N
XLogP0.73
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-acetamidophenyl)triazole-4-carboxylic acid
CID 82201554
2-(3-phenyltriazol-4-yl)ethanamine
CID 82200310
N-[3-[5-(2-aminoethyl)-1H-imidazol-2-yl]phenyl]acetamide
CID 84760541
2-[3-(3-chlorophenyl)triazol-4-yl]-N-methylethanamine
CID 117167260
1-[3-(3-methoxyphenyl)triazol-4-yl]propan-2-one
CID 117167208
N-[3-[3-(aminomethyl)-5-(chloromethyl)-1,2,4-triazol-4-yl]phenyl]acetamide
CID 83968258
N-[3-[4-(hydroxymethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetamide
CID 94938963
N-[3-[4-formyl-5-(2-methylpropyl)triazol-1-yl]phenyl]acetamide
CID 82199338
N-[3-[5-(aminomethyl)triazol-1-yl]phenyl]-7-(3-methylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118125160
ethyl 1-[3-(3-aminopropanoylamino)phenyl]-5-methylpyrazole-4-carboxylate;hydrochloride
CID 119294307
N-[3-(2-aminoimidazol-1-yl)phenyl]acetamide
CID 106558064
N-[3-[5-(3-methylbutylsulfanyl)tetrazol-1-yl]phenyl]acetamide
CID 38842731

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-aminoethyl)triazol-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[5-(2-aminoethyl)triazol-1-yl]phenyl]acetamide (CID 82199375) is N-[3-[5-(2-aminoethyl)triazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-(2-aminoethyl)triazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-(2-aminoethyl)triazol-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(-n2nncc2CCN)c1.
What is the InChIKey of N-[3-[5-(2-aminoethyl)triazol-1-yl]phenyl]acetamide?
The InChIKey is QDFXHLTXZSLLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-9(18)15-10-3-2-4-11(7-10)17-12(5-6-13)8-14-16-17/h2-4,7-8H,5-6,13H2,1H3,(H,15,18).
What are the key properties of N-[3-[5-(2-aminoethyl)triazol-1-yl]phenyl]acetamide?
N-[3-[5-(2-aminoethyl)triazol-1-yl]phenyl]acetamide has a molecular weight of 245.29 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-aminoethyl)triazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 82199375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).