[7-[(4-amino-2-nitrophenyl)diazenyl]-8-hydroxynaphthalen-2-yl]-trimethylazanium

C19H20N5O3+ — CID 135858844

IUPAC[7-[(4-amino-2-nitrophenyl)diazenyl]-8-hydroxynaphthalen-2-yl]-trimethylazanium
SMILESC[N+](C)(C)c1ccc2ccc(/N=N/c3ccc(N)cc3[N+](=O)[O-])c(O)c2c1
InChIInChI=1S/C19H19N5O3/c1-24(2,3)14-7-4-12-5-8-17(19(25)15(12)11-14)22-21-16-9-6-13(20)10-18(16)23(26)27/h4-11H,1-3H3,(H2-,20,21,22,25)/p+1
InChIKeyNUYAOZDSBBHXIN-UHFFFAOYSA-O
MW366.40 g/mol
LogP4.65
Rot. Bonds4

About [7-[(4-amino-2-nitrophenyl)diazenyl]-8-hydroxynaphthalen-2-yl]-trimethylazanium

[7-[(4-amino-2-nitrophenyl)diazenyl]-8-hydroxynaphthalen-2-yl]-trimethylazanium (PubChem CID 135858844) has the molecular formula C19H20N5O3+ and a molecular weight of 366.40 g/mol. Its IUPAC name is [7-[(4-amino-2-nitrophenyl)diazenyl]-8-hydroxynaphthalen-2-yl]-trimethylazanium.

Molecular Properties

Compound Name[7-[(4-amino-2-nitrophenyl)diazenyl]-8-hydroxynaphthalen-2-yl]-trimethylazanium
PubChem CID135858844
Molecular FormulaC19H20N5O3+
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name[7-[(4-amino-2-nitrophenyl)diazenyl]-8-hydroxynaphthalen-2-yl]-trimethylazanium
SMILESC[N+](C)(C)c1ccc2ccc(/N=N/c3ccc(N)cc3[N+](=O)[O-])c(O)c2c1
InChIInChI=1S/C19H19N5O3/c1-24(2,3)14-7-4-12-5-8-17(19(25)15(12)11-14)22-21-16-9-6-13(20)10-18(16)23(26)27/h4-11H,1-3H3,(H2-,20,21,22,25)/p+1
InChIKeyNUYAOZDSBBHXIN-UHFFFAOYSA-O
XLogP4.65
TPSA114.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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'}

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Related Compounds

7-amino-2-[(4-aminophenyl)diazenyl]naphthalen-1-ol
CID 175748913
[8-[(4-amino-2-nitrophenyl)diazenyl]-7-hydroxynaphthalen-2-yl]-(2-chloroethyl)-methylideneazanium;methane
CID 159210476
(4-amino-3-nitrophenyl)-trimethylazanium chloride
CID 157061200
7-amino-3-[(2,4-dinitrophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 136880439
(4-amino-2-nitrophenyl)methyl-trimethylazanium
CID 71396229
[8-[(4-aminophenyl)diazenyl]-7-formylnaphthalen-2-yl]-trimethylazanium
CID 174606287
(3-carboxy-4-nitrophenyl)-trimethylazanium
CID 50991259
4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol
CID 136728959
2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol
CID 135503618
ethyl 4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-nitrobenzoate
CID 3020408
2-methyl-4-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]benzene-1,3-diol
CID 136746762
[3-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]diazenyl]phenyl]-trimethylazanium chloride
CID 3081985

Frequently Asked Questions

What is the IUPAC name of [7-[(4-amino-2-nitrophenyl)diazenyl]-8-hydroxynaphthalen-2-yl]-trimethylazanium?
The IUPAC name of [7-[(4-amino-2-nitrophenyl)diazenyl]-8-hydroxynaphthalen-2-yl]-trimethylazanium (CID 135858844) is [7-[(4-amino-2-nitrophenyl)diazenyl]-8-hydroxynaphthalen-2-yl]-trimethylazanium.
What is the SMILES notation for [7-[(4-amino-2-nitrophenyl)diazenyl]-8-hydroxynaphthalen-2-yl]-trimethylazanium?
The canonical SMILES for [7-[(4-amino-2-nitrophenyl)diazenyl]-8-hydroxynaphthalen-2-yl]-trimethylazanium is C[N+](C)(C)c1ccc2ccc(/N=N/c3ccc(N)cc3[N+](=O)[O-])c(O)c2c1.
What is the InChIKey of [7-[(4-amino-2-nitrophenyl)diazenyl]-8-hydroxynaphthalen-2-yl]-trimethylazanium?
The InChIKey is NUYAOZDSBBHXIN-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19N5O3/c1-24(2,3)14-7-4-12-5-8-17(19(25)15(12)11-14)22-21-16-9-6-13(20)10-18(16)23(26)27/h4-11H,1-3H3,(H2-,20,21,22,25)/p+1.
What are the key properties of [7-[(4-amino-2-nitrophenyl)diazenyl]-8-hydroxynaphthalen-2-yl]-trimethylazanium?
[7-[(4-amino-2-nitrophenyl)diazenyl]-8-hydroxynaphthalen-2-yl]-trimethylazanium has a molecular weight of 366.40 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(4-amino-2-nitrophenyl)diazenyl]-8-hydroxynaphthalen-2-yl]-trimethylazanium is sourced from PubChem (CID 135858844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).