2-[(E)-(phenanthro[9,10-e][1,2,4]triazin-3-ylhydrazinylidene)methyl]phenol

C22H15N5O — CID 135436126

IUPAC2-[(E)-(phenanthro[9,10-e][1,2,4]triazin-3-ylhydrazinylidene)methyl]phenol
SMILESOc1ccccc1/C=N/Nc1nnc2c3ccccc3c3ccccc3c2n1
InChIInChI=1S/C22H15N5O/c28-19-12-6-1-7-14(19)13-23-26-22-24-20-17-10-4-2-8-15(17)16-9-3-5-11-18(16)21(20)25-27-22/h1-13,28H,(H,24,26,27)/b23-13+
InChIKeyPATBFKMMYZZDGH-YDZHTSKRSA-N
MW365.40 g/mol
LogP4.48
Rot. Bonds3

About 2-[(E)-(phenanthro[9,10-e][1,2,4]triazin-3-ylhydrazinylidene)methyl]phenol

2-[(E)-(phenanthro[9,10-e][1,2,4]triazin-3-ylhydrazinylidene)methyl]phenol (PubChem CID 135436126) has the molecular formula C22H15N5O and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-[(E)-(phenanthro[9,10-e][1,2,4]triazin-3-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-[(E)-(phenanthro[9,10-e][1,2,4]triazin-3-ylhydrazinylidene)methyl]phenol
PubChem CID135436126
Molecular FormulaC22H15N5O
Molecular Weight365.40 g/mol
Exact Mass365.13
IUPAC Name2-[(E)-(phenanthro[9,10-e][1,2,4]triazin-3-ylhydrazinylidene)methyl]phenol
SMILESOc1ccccc1/C=N/Nc1nnc2c3ccccc3c3ccccc3c2n1
InChIInChI=1S/C22H15N5O/c28-19-12-6-1-7-14(19)13-23-26-22-24-20-17-10-4-2-8-15(17)16-9-3-5-11-18(16)21(20)25-27-22/h1-13,28H,(H,24,26,27)/b23-13+
InChIKeyPATBFKMMYZZDGH-YDZHTSKRSA-N
XLogP4.48
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(phenanthro[9,10-e][1,2,4]triazin-3-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-[(E)-(phenanthro[9,10-e][1,2,4]triazin-3-ylhydrazinylidene)methyl]phenol (CID 135436126) is 2-[(E)-(phenanthro[9,10-e][1,2,4]triazin-3-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-[(E)-(phenanthro[9,10-e][1,2,4]triazin-3-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-[(E)-(phenanthro[9,10-e][1,2,4]triazin-3-ylhydrazinylidene)methyl]phenol is Oc1ccccc1/C=N/Nc1nnc2c3ccccc3c3ccccc3c2n1.
What is the InChIKey of 2-[(E)-(phenanthro[9,10-e][1,2,4]triazin-3-ylhydrazinylidene)methyl]phenol?
The InChIKey is PATBFKMMYZZDGH-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H15N5O/c28-19-12-6-1-7-14(19)13-23-26-22-24-20-17-10-4-2-8-15(17)16-9-3-5-11-18(16)21(20)25-27-22/h1-13,28H,(H,24,26,27)/b23-13+.
What are the key properties of 2-[(E)-(phenanthro[9,10-e][1,2,4]triazin-3-ylhydrazinylidene)methyl]phenol?
2-[(E)-(phenanthro[9,10-e][1,2,4]triazin-3-ylhydrazinylidene)methyl]phenol has a molecular weight of 365.40 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(phenanthro[9,10-e][1,2,4]triazin-3-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135436126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).