(1Z)-2-amino-N-(4-hydroxyanilino)-2-iminoethanimidoyl cyanide

C9H9N5O — CID 172931572

IUPAC(1Z)-2-amino-N-(4-hydroxyanilino)-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(O)cc1
InChIInChI=1S/C9H9N5O/c10-5-8(9(11)12)14-13-6-1-3-7(15)4-2-6/h1-4,13,15H,(H3,11,12)/b14-8+
InChIKeyJAZWBADLEOYVDV-RIYZIHGNSA-N
MW203.20 g/mol
LogP0.62
Rot. Bonds3

About (1Z)-2-amino-N-(4-hydroxyanilino)-2-iminoethanimidoyl cyanide

(1Z)-2-amino-N-(4-hydroxyanilino)-2-iminoethanimidoyl cyanide (PubChem CID 172931572) has the molecular formula C9H9N5O and a molecular weight of 203.20 g/mol. Its IUPAC name is (1Z)-2-amino-N-(4-hydroxyanilino)-2-iminoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-N-(4-hydroxyanilino)-2-iminoethanimidoyl cyanide
PubChem CID172931572
Molecular FormulaC9H9N5O
Molecular Weight203.20 g/mol
Exact Mass203.08
IUPAC Name(1Z)-2-amino-N-(4-hydroxyanilino)-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(O)cc1
InChIInChI=1S/C9H9N5O/c10-5-8(9(11)12)14-13-6-1-3-7(15)4-2-6/h1-4,13,15H,(H3,11,12)/b14-8+
InChIKeyJAZWBADLEOYVDV-RIYZIHGNSA-N
XLogP0.62
TPSA118.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z)-2-amino-N-(3-chloro-4-hydroxyanilino)-2-iminoethanimidoyl cyanide
CID 172980240
(1Z)-2-amino-N-[4-(difluoromethoxy)anilino]-2-iminoethanimidoyl cyanide
CID 172931759
(1Z)-2-amino-2-imino-N-[4-(4-methoxyphenoxy)anilino]ethanimidoyl cyanide
CID 172932012
(1Z)-2-amino-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]-2-iminoethanimidoyl cyanide
CID 172931741
(1Z)-2-amino-N-(4-ethylsulfanylanilino)-2-iminoethanimidoyl cyanide
CID 172977634
(1Z)-2-amino-N-(3-chloro-4-methylanilino)-2-iminoethanimidoyl cyanide
CID 172931907
(1Z)-2-amino-N-(3-chloro-4-cyanoanilino)-2-iminoethanimidoyl cyanide
CID 172980323
(1Z)-2-amino-2-imino-N-(4-piperazin-1-ylanilino)ethanimidoyl cyanide
CID 172976456
(1Z)-2-amino-N-[4-(cyclopropanecarbonylamino)anilino]-2-iminoethanimidoyl cyanide
CID 172977730
4-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-2-hydroxybenzoic acid
CID 172931575
5-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-2-hydroxybenzoic acid
CID 172931662
(1Z)-2-amino-N-[4-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)anilino]-2-iminoethanimidoyl cyanide
CID 172977904

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-N-(4-hydroxyanilino)-2-iminoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-N-(4-hydroxyanilino)-2-iminoethanimidoyl cyanide (CID 172931572) is (1Z)-2-amino-N-(4-hydroxyanilino)-2-iminoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-N-(4-hydroxyanilino)-2-iminoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-N-(4-hydroxyanilino)-2-iminoethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1ccc(O)cc1.
What is the InChIKey of (1Z)-2-amino-N-(4-hydroxyanilino)-2-iminoethanimidoyl cyanide?
The InChIKey is JAZWBADLEOYVDV-RIYZIHGNSA-N. The full InChI is InChI=1S/C9H9N5O/c10-5-8(9(11)12)14-13-6-1-3-7(15)4-2-6/h1-4,13,15H,(H3,11,12)/b14-8+.
What are the key properties of (1Z)-2-amino-N-(4-hydroxyanilino)-2-iminoethanimidoyl cyanide?
(1Z)-2-amino-N-(4-hydroxyanilino)-2-iminoethanimidoyl cyanide has a molecular weight of 203.20 g/mol, XLogP of 0.62, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-N-(4-hydroxyanilino)-2-iminoethanimidoyl cyanide is sourced from PubChem (CID 172931572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).