(1Z)-2-amino-2-imino-N-[4-(5-phenyltriazol-1-yl)anilino]ethanimidoyl cyanide

C17H14N8 — CID 172979594

IUPAC(1Z)-2-amino-2-imino-N-[4-(5-phenyltriazol-1-yl)anilino]ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(-n2nncc2-c2ccccc2)cc1
InChIInChI=1S/C17H14N8/c18-10-15(17(19)20)23-22-13-6-8-14(9-7-13)25-16(11-21-24-25)12-4-2-1-3-5-12/h1-9,11,22H,(H3,19,20)/b23-15+
InChIKeyRLGLONGGXHXXGP-HZHRSRAPSA-N
MW330.36 g/mol
LogP2.16
Rot. Bonds5

About (1Z)-2-amino-2-imino-N-[4-(5-phenyltriazol-1-yl)anilino]ethanimidoyl cyanide

(1Z)-2-amino-2-imino-N-[4-(5-phenyltriazol-1-yl)anilino]ethanimidoyl cyanide (PubChem CID 172979594) has the molecular formula C17H14N8 and a molecular weight of 330.36 g/mol. Its IUPAC name is (1Z)-2-amino-2-imino-N-[4-(5-phenyltriazol-1-yl)anilino]ethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-2-imino-N-[4-(5-phenyltriazol-1-yl)anilino]ethanimidoyl cyanide
PubChem CID172979594
Molecular FormulaC17H14N8
Molecular Weight330.36 g/mol
Exact Mass330.13
IUPAC Name(1Z)-2-amino-2-imino-N-[4-(5-phenyltriazol-1-yl)anilino]ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(-n2nncc2-c2ccccc2)cc1
InChIInChI=1S/C17H14N8/c18-10-15(17(19)20)23-22-13-6-8-14(9-7-13)25-16(11-21-24-25)12-4-2-1-3-5-12/h1-9,11,22H,(H3,19,20)/b23-15+
InChIKeyRLGLONGGXHXXGP-HZHRSRAPSA-N
XLogP2.16
TPSA128.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', '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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Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-2-imino-N-[4-(5-phenyltriazol-1-yl)anilino]ethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-2-imino-N-[4-(5-phenyltriazol-1-yl)anilino]ethanimidoyl cyanide (CID 172979594) is (1Z)-2-amino-2-imino-N-[4-(5-phenyltriazol-1-yl)anilino]ethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-2-imino-N-[4-(5-phenyltriazol-1-yl)anilino]ethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-2-imino-N-[4-(5-phenyltriazol-1-yl)anilino]ethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1ccc(-n2nncc2-c2ccccc2)cc1.
What is the InChIKey of (1Z)-2-amino-2-imino-N-[4-(5-phenyltriazol-1-yl)anilino]ethanimidoyl cyanide?
The InChIKey is RLGLONGGXHXXGP-HZHRSRAPSA-N. The full InChI is InChI=1S/C17H14N8/c18-10-15(17(19)20)23-22-13-6-8-14(9-7-13)25-16(11-21-24-25)12-4-2-1-3-5-12/h1-9,11,22H,(H3,19,20)/b23-15+.
What are the key properties of (1Z)-2-amino-2-imino-N-[4-(5-phenyltriazol-1-yl)anilino]ethanimidoyl cyanide?
(1Z)-2-amino-2-imino-N-[4-(5-phenyltriazol-1-yl)anilino]ethanimidoyl cyanide has a molecular weight of 330.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-2-imino-N-[4-(5-phenyltriazol-1-yl)anilino]ethanimidoyl cyanide is sourced from PubChem (CID 172979594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).