(5-nitro-2-pyridinyl)-(phthalazin-1-ylmethyl)diazene

C14H10N6O2 — CID 54157550

IUPAC(5-nitro-2-pyridinyl)-(phthalazin-1-ylmethyl)diazene
SMILESO=[N+]([O-])c1ccc(/N=N/Cc2nncc3ccccc23)nc1
InChIInChI=1S/C14H10N6O2/c21-20(22)11-5-6-14(15-8-11)19-17-9-13-12-4-2-1-3-10(12)7-16-18-13/h1-8H,9H2/b19-17+
InChIKeyOMDUYJIPPXOYFD-HTXNQAPBSA-N
MW294.27 g/mol
LogP3.22
Rot. Bonds4

About (5-nitro-2-pyridinyl)-(phthalazin-1-ylmethyl)diazene

(5-nitro-2-pyridinyl)-(phthalazin-1-ylmethyl)diazene (PubChem CID 54157550) has the molecular formula C14H10N6O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is (5-nitro-2-pyridinyl)-(phthalazin-1-ylmethyl)diazene.

Molecular Properties

Compound Name(5-nitro-2-pyridinyl)-(phthalazin-1-ylmethyl)diazene
PubChem CID54157550
Molecular FormulaC14H10N6O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name(5-nitro-2-pyridinyl)-(phthalazin-1-ylmethyl)diazene
SMILESO=[N+]([O-])c1ccc(/N=N/Cc2nncc3ccccc23)nc1
InChIInChI=1S/C14H10N6O2/c21-20(22)11-5-6-14(15-8-11)19-17-9-13-12-4-2-1-3-10(12)7-16-18-13/h1-8H,9H2/b19-17+
InChIKeyOMDUYJIPPXOYFD-HTXNQAPBSA-N
XLogP3.22
TPSA106.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5-nitro-2-pyridinyl)-(phthalazin-1-ylmethyl)diazene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methyl-(5-nitro-2-pyridinyl)diazene
CID 170922180
[1-(4-methoxyphenyl)pyrrol-2-yl]methyl-(5-nitro-2-pyridinyl)diazene
CID 170921731
2-methoxy-6-[[(5-nitro-2-pyridinyl)diazenyl]methyl]phenol
CID 91897591
2-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1,4-diol
CID 136665588
(3-methyl-4-pyrrolidin-1-ylphenyl)methyl-(5-nitro-2-pyridinyl)diazene
CID 170921733
2-phthalazin-1-ylacetic acid;hydrate
CID 141001689
(5-nitro-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene
CID 90968178
1-hydroxy-N-(5-nitro-2-pyridinyl)pyridin-2-imine
CID 139214633
2-isothiocyanato-5-nitropyridine
CID 12866943
N-methyl-N-(4-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 51112968
2-(5-nitro-2-pyridinyl)-1-phenylguanidine
CID 100573340
2-nitrophenanthridine
CID 15065495

Frequently Asked Questions

What is the IUPAC name of (5-nitro-2-pyridinyl)-(phthalazin-1-ylmethyl)diazene?
The IUPAC name of (5-nitro-2-pyridinyl)-(phthalazin-1-ylmethyl)diazene (CID 54157550) is (5-nitro-2-pyridinyl)-(phthalazin-1-ylmethyl)diazene.
What is the SMILES notation for (5-nitro-2-pyridinyl)-(phthalazin-1-ylmethyl)diazene?
The canonical SMILES for (5-nitro-2-pyridinyl)-(phthalazin-1-ylmethyl)diazene is O=[N+]([O-])c1ccc(/N=N/Cc2nncc3ccccc23)nc1.
What is the InChIKey of (5-nitro-2-pyridinyl)-(phthalazin-1-ylmethyl)diazene?
The InChIKey is OMDUYJIPPXOYFD-HTXNQAPBSA-N. The full InChI is InChI=1S/C14H10N6O2/c21-20(22)11-5-6-14(15-8-11)19-17-9-13-12-4-2-1-3-10(12)7-16-18-13/h1-8H,9H2/b19-17+.
What are the key properties of (5-nitro-2-pyridinyl)-(phthalazin-1-ylmethyl)diazene?
(5-nitro-2-pyridinyl)-(phthalazin-1-ylmethyl)diazene has a molecular weight of 294.27 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitro-2-pyridinyl)-(phthalazin-1-ylmethyl)diazene is sourced from PubChem (CID 54157550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).