1-[5-amino-2-(3-methyltriazol-4-yl)oxyphenyl]ethanone

C11H12N4O2 — CID 114222924

IUPAC1-[5-amino-2-(3-methyltriazol-4-yl)oxyphenyl]ethanone
SMILESCC(=O)c1cc(N)ccc1Oc1cnnn1C
InChIInChI=1S/C11H12N4O2/c1-7(16)9-5-8(12)3-4-10(9)17-11-6-13-14-15(11)2/h3-6H,12H2,1-2H3
InChIKeyASGNACQZQLPAQZ-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.39
Rot. Bonds3

About 1-[5-amino-2-(3-methyltriazol-4-yl)oxyphenyl]ethanone

1-[5-amino-2-(3-methyltriazol-4-yl)oxyphenyl]ethanone (PubChem CID 114222924) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-[5-amino-2-(3-methyltriazol-4-yl)oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[5-amino-2-(3-methyltriazol-4-yl)oxyphenyl]ethanone
PubChem CID114222924
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name1-[5-amino-2-(3-methyltriazol-4-yl)oxyphenyl]ethanone
SMILESCC(=O)c1cc(N)ccc1Oc1cnnn1C
InChIInChI=1S/C11H12N4O2/c1-7(16)9-5-8(12)3-4-10(9)17-11-6-13-14-15(11)2/h3-6H,12H2,1-2H3
InChIKeyASGNACQZQLPAQZ-UHFFFAOYSA-N
XLogP1.39
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(5-amino-2-phthalazin-1-yloxyphenyl)ethanone
CID 116541453
1-[5-amino-2-(1,2,4-benzotriazin-3-yloxy)phenyl]ethanone
CID 103204594
1-[5-amino-2-[(2-methoxy-4-pyridinyl)oxy]phenyl]ethanone
CID 116541549
1-(5-amino-2-propan-2-yloxyphenyl)ethanone
CID 70224609
4-(2-acetyl-4-aminophenoxy)-2-methyl-1H-pyrimidin-6-one
CID 114578883
5-(2-acetyl-4-aminophenoxy)pyrazine-2-carbonitrile
CID 116541439
5-amino-2-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116793229
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
1-(5-amino-2-octoxyphenyl)ethanone
CID 26223
1-[5-amino-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
CID 116541482
1-[5-amino-2-[(3-propoxy-2-pyridinyl)oxy]phenyl]ethanone
CID 116541551
2-(2-acetyl-4-aminophenoxy)-4-chlorobenzonitrile
CID 116541510

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-(3-methyltriazol-4-yl)oxyphenyl]ethanone?
The IUPAC name of 1-[5-amino-2-(3-methyltriazol-4-yl)oxyphenyl]ethanone (CID 114222924) is 1-[5-amino-2-(3-methyltriazol-4-yl)oxyphenyl]ethanone.
What is the SMILES notation for 1-[5-amino-2-(3-methyltriazol-4-yl)oxyphenyl]ethanone?
The canonical SMILES for 1-[5-amino-2-(3-methyltriazol-4-yl)oxyphenyl]ethanone is CC(=O)c1cc(N)ccc1Oc1cnnn1C.
What is the InChIKey of 1-[5-amino-2-(3-methyltriazol-4-yl)oxyphenyl]ethanone?
The InChIKey is ASGNACQZQLPAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7(16)9-5-8(12)3-4-10(9)17-11-6-13-14-15(11)2/h3-6H,12H2,1-2H3.
What are the key properties of 1-[5-amino-2-(3-methyltriazol-4-yl)oxyphenyl]ethanone?
1-[5-amino-2-(3-methyltriazol-4-yl)oxyphenyl]ethanone has a molecular weight of 232.24 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-(3-methyltriazol-4-yl)oxyphenyl]ethanone is sourced from PubChem (CID 114222924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).