3-[(E)-(4-hydroxyphenyl)methylideneamino]-5H-triazino[5,4-b]indol-4-one

C16H11N5O2 — CID 135764923

IUPAC3-[(E)-(4-hydroxyphenyl)methylideneamino]-5H-triazino[5,4-b]indol-4-one
SMILESO=c1c2[nH]c3ccccc3c2nnn1/N=C/c1ccc(O)cc1
InChIInChI=1S/C16H11N5O2/c22-11-7-5-10(6-8-11)9-17-21-16(23)15-14(19-20-21)12-3-1-2-4-13(12)18-15/h1-9,18,22H/b17-9+
InChIKeyANNIRGBPLHRRKP-RQZCQDPDSA-N
MW305.30 g/mol
LogP1.86
Rot. Bonds2

About 3-[(E)-(4-hydroxyphenyl)methylideneamino]-5H-triazino[5,4-b]indol-4-one

3-[(E)-(4-hydroxyphenyl)methylideneamino]-5H-triazino[5,4-b]indol-4-one (PubChem CID 135764923) has the molecular formula C16H11N5O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 3-[(E)-(4-hydroxyphenyl)methylideneamino]-5H-triazino[5,4-b]indol-4-one.

Molecular Properties

Compound Name3-[(E)-(4-hydroxyphenyl)methylideneamino]-5H-triazino[5,4-b]indol-4-one
PubChem CID135764923
Molecular FormulaC16H11N5O2
Molecular Weight305.30 g/mol
Exact Mass305.09
IUPAC Name3-[(E)-(4-hydroxyphenyl)methylideneamino]-5H-triazino[5,4-b]indol-4-one
SMILESO=c1c2[nH]c3ccccc3c2nnn1/N=C/c1ccc(O)cc1
InChIInChI=1S/C16H11N5O2/c22-11-7-5-10(6-8-11)9-17-21-16(23)15-14(19-20-21)12-3-1-2-4-13(12)18-15/h1-9,18,22H/b17-9+
InChIKeyANNIRGBPLHRRKP-RQZCQDPDSA-N
XLogP1.86
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-5H-triazino[5,4-b]indol-4-one
CID 135778046
3-[(Z)-benzylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one
CID 5408888
3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
CID 135650350
3-[(E)-pyridin-3-ylmethylideneamino]-5H-pyrimido[5,4-b]indol-4-one
CID 6881688
3-[(E)-(4-hydroxyphenyl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one
CID 135603234
3-[(E)-(4-hydroxyphenyl)methylideneamino]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one
CID 136665059
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
8-bromo-3-[(4-hydroxyphenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
CID 1419802
3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylphenyl)quinazolin-4-one
CID 135519203
4-[(Z)-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]benzoic acid
CID 9031519
3-(benzylideneamino)-8-methoxy-5H-pyrimido[5,4-b]indol-4-one
CID 813615
2-methyl-3-[(3-nitrophenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
CID 914970

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(4-hydroxyphenyl)methylideneamino]-5H-triazino[5,4-b]indol-4-one?
The IUPAC name of 3-[(E)-(4-hydroxyphenyl)methylideneamino]-5H-triazino[5,4-b]indol-4-one (CID 135764923) is 3-[(E)-(4-hydroxyphenyl)methylideneamino]-5H-triazino[5,4-b]indol-4-one.
What is the SMILES notation for 3-[(E)-(4-hydroxyphenyl)methylideneamino]-5H-triazino[5,4-b]indol-4-one?
The canonical SMILES for 3-[(E)-(4-hydroxyphenyl)methylideneamino]-5H-triazino[5,4-b]indol-4-one is O=c1c2[nH]c3ccccc3c2nnn1/N=C/c1ccc(O)cc1.
What is the InChIKey of 3-[(E)-(4-hydroxyphenyl)methylideneamino]-5H-triazino[5,4-b]indol-4-one?
The InChIKey is ANNIRGBPLHRRKP-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H11N5O2/c22-11-7-5-10(6-8-11)9-17-21-16(23)15-14(19-20-21)12-3-1-2-4-13(12)18-15/h1-9,18,22H/b17-9+.
What are the key properties of 3-[(E)-(4-hydroxyphenyl)methylideneamino]-5H-triazino[5,4-b]indol-4-one?
3-[(E)-(4-hydroxyphenyl)methylideneamino]-5H-triazino[5,4-b]indol-4-one has a molecular weight of 305.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(4-hydroxyphenyl)methylideneamino]-5H-triazino[5,4-b]indol-4-one is sourced from PubChem (CID 135764923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).