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

C12H15N5O2 — CID 81479348

IUPACN-[3-(2-aminoethoxy)phenyl]-2-(triazol-1-yl)acetamide
SMILESNCCOc1cccc(NC(=O)Cn2ccnn2)c1
InChIInChI=1S/C12H15N5O2/c13-4-7-19-11-3-1-2-10(8-11)15-12(18)9-17-6-5-14-16-17/h1-3,5-6,8H,4,7,9,13H2,(H,15,18)
InChIKeyPAJKGGRQFUJZSA-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.25
Rot. Bonds6

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

N-[3-(2-aminoethoxy)phenyl]-2-(triazol-1-yl)acetamide (PubChem CID 81479348) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]-2-(triazol-1-yl)acetamide
PubChem CID81479348
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC NameN-[3-(2-aminoethoxy)phenyl]-2-(triazol-1-yl)acetamide
SMILESNCCOc1cccc(NC(=O)Cn2ccnn2)c1
InChIInChI=1S/C12H15N5O2/c13-4-7-19-11-3-1-2-10(8-11)15-12(18)9-17-6-5-14-16-17/h1-3,5-6,8H,4,7,9,13H2,(H,15,18)
InChIKeyPAJKGGRQFUJZSA-UHFFFAOYSA-N
XLogP0.25
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-aminoethoxy)phenyl]-3-(triazol-1-yl)propanamide
CID 63121181
N-[3-(methylaminomethyl)phenyl]-2-(triazol-1-yl)acetamide
CID 81481429
N-[3-(2-aminoethoxy)phenyl]-2-methoxyacetamide
CID 61277360
N-[3-(2-aminoethoxy)phenyl]pyridazine-4-carboxamide
CID 104668880
N-[3-(2-aminoethoxy)phenyl]-3-pyridin-3-ylpropanamide
CID 81485538
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-pyrazol-1-ylacetamide
CID 47063106
N-[3-(2-aminoethoxy)phenyl]-3-methoxy-3-methylbutanamide
CID 103017298
3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea
CID 79154063
N-(4-hydroxy-3-methylphenyl)-2-(triazol-1-yl)acetamide
CID 113290212
N-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide
CID 63254516
N-[3-(2-aminoethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 28754992
1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea
CID 63121094

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-2-(triazol-1-yl)acetamide (CID 81479348) is N-[3-(2-aminoethoxy)phenyl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-2-(triazol-1-yl)acetamide is NCCOc1cccc(NC(=O)Cn2ccnn2)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-2-(triazol-1-yl)acetamide?
The InChIKey is PAJKGGRQFUJZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c13-4-7-19-11-3-1-2-10(8-11)15-12(18)9-17-6-5-14-16-17/h1-3,5-6,8H,4,7,9,13H2,(H,15,18).
What are the key properties of N-[3-(2-aminoethoxy)phenyl]-2-(triazol-1-yl)acetamide?
N-[3-(2-aminoethoxy)phenyl]-2-(triazol-1-yl)acetamide has a molecular weight of 261.28 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 81479348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).