(1Z)-2-amino-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]-2-iminoethanimidoyl cyanide

C16H13ClN8O — CID 172979173

IUPAC(1Z)-2-amino-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1Cl
InChIInChI=1S/C16H13ClN8O/c1-26-15-5-4-14-21-13(8-25(14)24-15)9-2-3-10(17)11(6-9)22-23-12(7-18)16(19)20/h2-6,8,22H,1H3,(H3,19,20)/b23-12+
InChIKeyFLWGNLPJRNXIPE-FSJBWODESA-N
MW368.79 g/mol
LogP2.29
Rot. Bonds5

About (1Z)-2-amino-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]-2-iminoethanimidoyl cyanide

(1Z)-2-amino-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]-2-iminoethanimidoyl cyanide (PubChem CID 172979173) has the molecular formula C16H13ClN8O and a molecular weight of 368.79 g/mol. Its IUPAC name is (1Z)-2-amino-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]-2-iminoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]-2-iminoethanimidoyl cyanide
PubChem CID172979173
Molecular FormulaC16H13ClN8O
Molecular Weight368.79 g/mol
Exact Mass368.09
IUPAC Name(1Z)-2-amino-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1Cl
InChIInChI=1S/C16H13ClN8O/c1-26-15-5-4-14-21-13(8-25(14)24-15)9-2-3-10(17)11(6-9)22-23-12(7-18)16(19)20/h2-6,8,22H,1H3,(H3,19,20)/b23-12+
InChIKeyFLWGNLPJRNXIPE-FSJBWODESA-N
XLogP2.29
TPSA137.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.79
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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Related Compounds

2-chloro-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
CID 16886088
3-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]propane-1,2-diol
CID 168594967
N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclopropanecarboxamide
CID 16886064
(1Z)-2-amino-N-(2-chloro-5-cyanoanilino)-2-iminoethanimidoyl cyanide
CID 172931799
(1Z)-2-amino-N-[(6-chloro-2-methylindazol-5-yl)amino]-2-iminoethanimidoyl cyanide
CID 172976488
N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclopentanecarboxamide
CID 16886104
(1Z)-2-amino-N-[3-(6-chloroimidazo[1,2-a]pyridin-2-yl)anilino]-2-iminoethanimidoyl cyanide
CID 172979788
(1Z)-2-amino-N-[2-chloro-5-(methylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide
CID 172976257
(1Z)-2-amino-N-(4-chloro-2-cyano-5-methoxyanilino)-2-iminoethanimidoyl cyanide
CID 172979926
(1Z)-2-amino-N-(2-chloro-5-morpholin-4-ylanilino)-2-iminoethanimidoyl cyanide
CID 172980104
(1Z)-2-amino-N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyanilino]-2-iminoethanimidoyl cyanide
CID 172978498
(1Z)-2-amino-N-(5-chloro-2,4-difluoroanilino)-2-iminoethanimidoyl cyanide
CID 172931806

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]-2-iminoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]-2-iminoethanimidoyl cyanide (CID 172979173) is (1Z)-2-amino-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]-2-iminoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]-2-iminoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]-2-iminoethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1Cl.
What is the InChIKey of (1Z)-2-amino-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]-2-iminoethanimidoyl cyanide?
The InChIKey is FLWGNLPJRNXIPE-FSJBWODESA-N. The full InChI is InChI=1S/C16H13ClN8O/c1-26-15-5-4-14-21-13(8-25(14)24-15)9-2-3-10(17)11(6-9)22-23-12(7-18)16(19)20/h2-6,8,22H,1H3,(H3,19,20)/b23-12+.
What are the key properties of (1Z)-2-amino-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]-2-iminoethanimidoyl cyanide?
(1Z)-2-amino-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]-2-iminoethanimidoyl cyanide has a molecular weight of 368.79 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]-2-iminoethanimidoyl cyanide is sourced from PubChem (CID 172979173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).