1-[5-amino-2-(1,2,4-benzotriazin-3-yloxy)phenyl]ethanone

C15H12N4O2 — CID 103204594

IUPAC1-[5-amino-2-(1,2,4-benzotriazin-3-yloxy)phenyl]ethanone
SMILESCC(=O)c1cc(N)ccc1Oc1nnc2ccccc2n1
InChIInChI=1S/C15H12N4O2/c1-9(20)11-8-10(16)6-7-14(11)21-15-17-12-4-2-3-5-13(12)18-19-15/h2-8H,16H2,1H3
InChIKeyQHORYEPUKJHQAC-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.60
Rot. Bonds3

About 1-[5-amino-2-(1,2,4-benzotriazin-3-yloxy)phenyl]ethanone

1-[5-amino-2-(1,2,4-benzotriazin-3-yloxy)phenyl]ethanone (PubChem CID 103204594) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-[5-amino-2-(1,2,4-benzotriazin-3-yloxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-amino-2-(1,2,4-benzotriazin-3-yloxy)phenyl]ethanone
PubChem CID103204594
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name1-[5-amino-2-(1,2,4-benzotriazin-3-yloxy)phenyl]ethanone
SMILESCC(=O)c1cc(N)ccc1Oc1nnc2ccccc2n1
InChIInChI=1S/C15H12N4O2/c1-9(20)11-8-10(16)6-7-14(11)21-15-17-12-4-2-3-5-13(12)18-19-15/h2-8H,16H2,1H3
InChIKeyQHORYEPUKJHQAC-UHFFFAOYSA-N
XLogP2.60
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.60
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
2-(1,2,4-benzotriazin-3-yloxy)-5-chlorobenzoic acid
CID 103204904
1-[5-amino-2-(3-methyltriazol-4-yl)oxyphenyl]ethanone
CID 114222924
1-[5-amino-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
CID 116541482
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
1-[5-amino-2-[(3-propoxy-2-pyridinyl)oxy]phenyl]ethanone
CID 116541551
1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone
CID 116541088
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
1-(5-amino-2-octoxyphenyl)ethanone
CID 26223
3-(1,2,4-benzotriazin-3-yl)-4-methoxyaniline
CID 82481460

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-(1,2,4-benzotriazin-3-yloxy)phenyl]ethanone?
The IUPAC name of 1-[5-amino-2-(1,2,4-benzotriazin-3-yloxy)phenyl]ethanone (CID 103204594) is 1-[5-amino-2-(1,2,4-benzotriazin-3-yloxy)phenyl]ethanone.
What is the SMILES notation for 1-[5-amino-2-(1,2,4-benzotriazin-3-yloxy)phenyl]ethanone?
The canonical SMILES for 1-[5-amino-2-(1,2,4-benzotriazin-3-yloxy)phenyl]ethanone is CC(=O)c1cc(N)ccc1Oc1nnc2ccccc2n1.
What is the InChIKey of 1-[5-amino-2-(1,2,4-benzotriazin-3-yloxy)phenyl]ethanone?
The InChIKey is QHORYEPUKJHQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-9(20)11-8-10(16)6-7-14(11)21-15-17-12-4-2-3-5-13(12)18-19-15/h2-8H,16H2,1H3.
What are the key properties of 1-[5-amino-2-(1,2,4-benzotriazin-3-yloxy)phenyl]ethanone?
1-[5-amino-2-(1,2,4-benzotriazin-3-yloxy)phenyl]ethanone has a molecular weight of 280.29 g/mol, XLogP of 2.60, 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-(1,2,4-benzotriazin-3-yloxy)phenyl]ethanone is sourced from PubChem (CID 103204594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).