potassium;carbanide;3-(6-chloro-5-ethenyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;methylazanide

C14H19ClKN3-2 — CID 156826352

IUPACpotassium;carbanide;3-(6-chloro-5-ethenyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;methylazanide
SMILESC[NH-].[CH3-].[H]/[C-]=C\c1ccc(N2CC3CC3C2)nc1Cl.[K+]
InChIInChI=1S/C12H12ClN2.CH4N.CH3.K/c1-2-8-3-4-11(14-12(8)13)15-6-9-5-10(9)7-15;1-2;;/h1-4,9-10H,5-7H2;2H,1H3;1H3;/q3*-1;+1
InChIKeyZTUZQFSQBHQUCO-UHFFFAOYSA-N
MW303.88 g/mol
LogP0.76
Rot. Bonds2

About potassium;carbanide;3-(6-chloro-5-ethenyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;methylazanide

potassium;carbanide;3-(6-chloro-5-ethenyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;methylazanide (PubChem CID 156826352) has the molecular formula C14H19ClKN3-2 and a molecular weight of 303.88 g/mol. Its IUPAC name is potassium;carbanide;3-(6-chloro-5-ethenyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;methylazanide.

Molecular Properties

Compound Namepotassium;carbanide;3-(6-chloro-5-ethenyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;methylazanide
PubChem CID156826352
Molecular FormulaC14H19ClKN3-2
Molecular Weight303.88 g/mol
Exact Mass303.09
IUPAC Namepotassium;carbanide;3-(6-chloro-5-ethenyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;methylazanide
SMILESC[NH-].[CH3-].[H]/[C-]=C\c1ccc(N2CC3CC3C2)nc1Cl.[K+]
InChIInChI=1S/C12H12ClN2.CH4N.CH3.K/c1-2-8-3-4-11(14-12(8)13)15-6-9-5-10(9)7-15;1-2;;/h1-4,9-10H,5-7H2;2H,1H3;1H3;/q3*-1;+1
InChIKeyZTUZQFSQBHQUCO-UHFFFAOYSA-N
XLogP0.76
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.88
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methanol
CID 156825866
6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethylpyridine-3-carbaldehyde
CID 156826621
3-[6-chloro-5-(2-nitroethyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 156826538
3-(6-ethyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane
CID 175933776
[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]triazol-4-yl]methanol
CID 166716344
1-(6-chloro-5-ethyl-2-pyridinyl)azetidin-3-amine
CID 163413623
3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane
CID 131218863
methyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 165179349
N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]ethylidene]hydroxylamine
CID 158318415
3-[6-ethenyl-5-[(3-ethylpyrazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 166721960
(3aS,6aS)-2-(6-chloropyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine;dihydrochloride
CID 154639878
2-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimido[1,2-a]benzimidazole
CID 149013956

Frequently Asked Questions

What is the IUPAC name of potassium;carbanide;3-(6-chloro-5-ethenyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;methylazanide?
The IUPAC name of potassium;carbanide;3-(6-chloro-5-ethenyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;methylazanide (CID 156826352) is potassium;carbanide;3-(6-chloro-5-ethenyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;methylazanide.
What is the SMILES notation for potassium;carbanide;3-(6-chloro-5-ethenyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;methylazanide?
The canonical SMILES for potassium;carbanide;3-(6-chloro-5-ethenyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;methylazanide is C[NH-].[CH3-].[H]/[C-]=C\c1ccc(N2CC3CC3C2)nc1Cl.[K+].
What is the InChIKey of potassium;carbanide;3-(6-chloro-5-ethenyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;methylazanide?
The InChIKey is ZTUZQFSQBHQUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN2.CH4N.CH3.K/c1-2-8-3-4-11(14-12(8)13)15-6-9-5-10(9)7-15;1-2;;/h1-4,9-10H,5-7H2;2H,1H3;1H3;/q3*-1;+1.
What are the key properties of potassium;carbanide;3-(6-chloro-5-ethenyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;methylazanide?
potassium;carbanide;3-(6-chloro-5-ethenyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;methylazanide has a molecular weight of 303.88 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;carbanide;3-(6-chloro-5-ethenyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;methylazanide is sourced from PubChem (CID 156826352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).