amino-[[(2Z)-2-[[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylidene]hydrazinyl]methylidene]azanium

C17H20N6+2 — CID 136795330

IUPACamino-[[(2Z)-2-[[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylidene]hydrazinyl]methylidene]azanium
SMILESCc1ccc2n(C)c(-c3ccc(/C=N\NC=[NH+]N)cc3)c[n+]2c1
InChIInChI=1S/C17H19N6/c1-13-3-8-17-22(2)16(11-23(17)10-13)15-6-4-14(5-7-15)9-20-21-12-19-18/h3-12H,18H2,1-2H3,(H,19,21)/q+1/p+1/b20-9-
InChIKeyVWXARQPUPQWRAY-UKWGHVSLSA-O
MW308.39 g/mol
LogP-0.35
Rot. Bonds4

About amino-[[(2Z)-2-[[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylidene]hydrazinyl]methylidene]azanium

amino-[[(2Z)-2-[[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylidene]hydrazinyl]methylidene]azanium (PubChem CID 136795330) has the molecular formula C17H20N6+2 and a molecular weight of 308.39 g/mol. Its IUPAC name is amino-[[(2Z)-2-[[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylidene]hydrazinyl]methylidene]azanium.

Molecular Properties

Compound Nameamino-[[(2Z)-2-[[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylidene]hydrazinyl]methylidene]azanium
PubChem CID136795330
Molecular FormulaC17H20N6+2
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Nameamino-[[(2Z)-2-[[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylidene]hydrazinyl]methylidene]azanium
SMILESCc1ccc2n(C)c(-c3ccc(/C=N\NC=[NH+]N)cc3)c[n+]2c1
InChIInChI=1S/C17H19N6/c1-13-3-8-17-22(2)16(11-23(17)10-13)15-6-4-14(5-7-15)9-20-21-12-19-18/h3-12H,18H2,1-2H3,(H,19,21)/q+1/p+1/b20-9-
InChIKeyVWXARQPUPQWRAY-UKWGHVSLSA-O
XLogP-0.35
TPSA73.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1,1-dimethylguanidine;bromide;hydrobromide
CID 172923247
2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-nitroguanidine
CID 46877408
(E)-1-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]-N-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]methanimine bromide
CID 54611300
2-[(Z)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine
CID 6076678
2-[6-[[amino-[(2E)-2-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylidene]hydrazinyl]methylidene]amino]hexyl]-1-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine;iodide;hydroiodide
CID 54598337
2-[(E)-[4-(1,7-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-hydroxyguanidine;bromide;hydrobromide
CID 172986443
methyl N'-[(E)-[4-(6-ethylsulfanyl-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]carbamimidothioate
CID 172941457
2-[(E)-[4-[(E)-2-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]-1-hydroxyguanidine;bromide;hydrobromide
CID 53323024
amino-[[(2Z)-2-[[4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]phenyl]methylidene]hydrazinyl]methylidene]azanium
CID 136768417
amino-[[(2Z)-2-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium
CID 136795343
2-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-nitroguanidine
CID 172952986
[4-(4-methylphenyl)phenyl]methylidenehydrazine
CID 154945808

Frequently Asked Questions

What is the IUPAC name of amino-[[(2Z)-2-[[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylidene]hydrazinyl]methylidene]azanium?
The IUPAC name of amino-[[(2Z)-2-[[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylidene]hydrazinyl]methylidene]azanium (CID 136795330) is amino-[[(2Z)-2-[[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylidene]hydrazinyl]methylidene]azanium.
What is the SMILES notation for amino-[[(2Z)-2-[[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylidene]hydrazinyl]methylidene]azanium?
The canonical SMILES for amino-[[(2Z)-2-[[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylidene]hydrazinyl]methylidene]azanium is Cc1ccc2n(C)c(-c3ccc(/C=N\NC=[NH+]N)cc3)c[n+]2c1.
What is the InChIKey of amino-[[(2Z)-2-[[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylidene]hydrazinyl]methylidene]azanium?
The InChIKey is VWXARQPUPQWRAY-UKWGHVSLSA-O. The full InChI is InChI=1S/C17H19N6/c1-13-3-8-17-22(2)16(11-23(17)10-13)15-6-4-14(5-7-15)9-20-21-12-19-18/h3-12H,18H2,1-2H3,(H,19,21)/q+1/p+1/b20-9-.
What are the key properties of amino-[[(2Z)-2-[[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylidene]hydrazinyl]methylidene]azanium?
amino-[[(2Z)-2-[[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylidene]hydrazinyl]methylidene]azanium has a molecular weight of 308.39 g/mol, XLogP of -0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[[(2Z)-2-[[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylidene]hydrazinyl]methylidene]azanium is sourced from PubChem (CID 136795330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).