2-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]guanidine;nitric acid

C9H13N5O4 — CID 135534479

IUPAC2-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]guanidine;nitric acid
SMILESC/C(=N/N=C(N)N)c1ccc(O)cc1.O=[N+]([O-])O
InChIInChI=1S/C9H12N4O.HNO3/c1-6(12-13-9(10)11)7-2-4-8(14)5-3-7;2-1(3)4/h2-5,14H,1H3,(H4,10,11,13);(H,2,3,4)/b12-6-;
InChIKeyYWCGOSOWUWBJHZ-DAMYXMBDSA-N
MW255.23 g/mol
LogP0.04
Rot. Bonds2

About 2-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]guanidine;nitric acid

2-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]guanidine;nitric acid (PubChem CID 135534479) has the molecular formula C9H13N5O4 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]guanidine;nitric acid.

Molecular Properties

Compound Name2-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]guanidine;nitric acid
PubChem CID135534479
Molecular FormulaC9H13N5O4
Molecular Weight255.23 g/mol
Exact Mass255.10
IUPAC Name2-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]guanidine;nitric acid
SMILESC/C(=N/N=C(N)N)c1ccc(O)cc1.O=[N+]([O-])O
InChIInChI=1S/C9H12N4O.HNO3/c1-6(12-13-9(10)11)7-2-4-8(14)5-3-7;2-1(3)4/h2-5,14H,1H3,(H4,10,11,13);(H,2,3,4)/b12-6-;
InChIKeyYWCGOSOWUWBJHZ-DAMYXMBDSA-N
XLogP0.04
TPSA160.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]guanidine;nitric acid 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-[1-[4-[4-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]guanidine;bis(nitric acid)
CID 131881797
4-[(Z)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 135490404
dihydroxy(oxo)azanium;2-[(E)-1-(4-hydroxyphenyl)propylideneamino]guanidine
CID 135788875
2-[(Z)-1-(4-formylphenyl)ethylideneamino]guanidine
CID 89086080
2-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]guanidine
CID 9017548
2-[(E)-1-(3,4-dihydroxyphenyl)ethylideneamino]guanidine
CID 135475507
2-[(E)-1-pyridin-4-ylethylideneamino]guanidine
CID 15857248
2-[(E)-1-(4-phenylphenyl)ethylideneamino]guanidine;hydrochloride
CID 54612215
2-[(E)-1-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-5-hydroxyphenyl]ethylideneamino]guanidine;hydrate;dihydrochloride
CID 172943602
2-[(E)-1-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-4-hydroxyphenyl]ethylideneamino]guanidine
CID 135527034
2-[(E)-1-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]guanidine;hydrochloride
CID 45261938
1-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-3-methylurea
CID 90261043

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]guanidine;nitric acid?
The IUPAC name of 2-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]guanidine;nitric acid (CID 135534479) is 2-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]guanidine;nitric acid.
What is the SMILES notation for 2-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]guanidine;nitric acid?
The canonical SMILES for 2-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]guanidine;nitric acid is C/C(=N/N=C(N)N)c1ccc(O)cc1.O=[N+]([O-])O.
What is the InChIKey of 2-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]guanidine;nitric acid?
The InChIKey is YWCGOSOWUWBJHZ-DAMYXMBDSA-N. The full InChI is InChI=1S/C9H12N4O.HNO3/c1-6(12-13-9(10)11)7-2-4-8(14)5-3-7;2-1(3)4/h2-5,14H,1H3,(H4,10,11,13);(H,2,3,4)/b12-6-;.
What are the key properties of 2-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]guanidine;nitric acid?
2-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]guanidine;nitric acid has a molecular weight of 255.23 g/mol, XLogP of 0.04, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]guanidine;nitric acid is sourced from PubChem (CID 135534479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).